SCHEMBL841555

SCHEMBL841555

Cc1cc(N)c(I)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.55
TSHR P16473 4/20 0.55
MAPK1 P28482 1/20 0.55
CD44 P16070 1/20 0.42
ALDH1A1 P00352 8/20 0.39
TDP1 Q9NUW8 5/20 0.36
CASP1 P29466 1/20 0.36
TP53 P04637 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ALOX15 P16050 2/20 0.33
PKM P14618 1/20 0.33
UHRF1 Q96T88 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30561864 1.00 CYP3A4 (0.55) CYP3A4TSHRMAPK1CD44ALDH1A1
SCHEMBL19738526 0.86 CYP3A4 (0.39) CYP3A4TSHRMAPK1CD44ALDH1A1
SCHEMBL272781 0.80 CYP3A4 (0.60) CYP3A4TSHRMAPK1CD44ALDH1A1
SCHEMBL30476125 0.80 CYP3A4 (0.60) CYP3A4TSHRMAPK1CD44ALDH1A1
SCHEMBL12922668 0.79 CYP3A4 (0.46) CYP3A4TSHRMAPK1CD44ALDH1A1
SCHEMBL16341038 0.79 CYP3A4 (0.40) CYP3A4TSHRMAPK1CD44ALDH1A1
SCHEMBL405019 0.79 CYP3A4 (0.40) CYP3A4TSHRMAPK1CD44ALDH1A1
SCHEMBL7532704 0.79 TSHR (0.43) CYP3A4TSHRMAPK1ALDH1A1TDP1
SCHEMBL21937810 0.79 CYP3A4 (0.40) CYP3A4TSHRMAPK1CD44ALDH1A1
SCHEMBL405877 0.79 CD44 (0.65) CYP3A4TSHRMAPK1CD44ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 141 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025868-A1 PHENOTHIAZINE COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER AGE-RELATED AND NEUROLOGICAL DISEASES ICAHN SCHOOL MED MOUNT SINAI (US) 2024-01-25 US disclosed
US-20240025868-A1 PHENOTHIAZINE COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER AGE-RELATED AND NEUROLOGICAL DISEASES ICAHN SCHOOL MED MOUNT SINAI (US) 2024-01-25 US disclosed
US-20240025868-A1 PHENOTHIAZINE COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER AGE-RELATED AND NEUROLOGICAL DISEASES ICAHN SCHOOL MED MOUNT SINAI (US) 2024-01-25 US disclosed
CN-116836130-B Synthesis method of 3, 4-dihydrobenzothiadiazine compound 嘉实(湖南)医药科技有限公司 2023-11-21 CN disclosed
CN-116836130-A Synthesis method of 3, 4-dihydrobenzothiadiazine compound 嘉实(湖南)医药科技有限公司 2023-10-03 CN disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
WO-2022104070-A2 PHENOTHIAZINE COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER AGE-RELATED AND NEUROLOGICAL DISEASES ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-05-19 WO disclosed
WO-2022104070-A2 PHENOTHIAZINE COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER AGE-RELATED AND NEUROLOGICAL DISEASES ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-05-19 WO disclosed
EP-3569606-B1 METAL COMPLEXES OF CYCLOMETALLATED IMIDAZO (1,2-F)PHENANTHRIDINE AND DIIMIDAZO (1,2-A; 1', 2'-C)QUINAZOLINE LIGANDS AND ISOELECTRONIC AND BENZANNULATED ANALOGS THEREOF UNIVERSAL DISPLAY CORP (US) 2022-01-05 EP disclosed
US-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION 2008-12-04 US disclosed
US-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION 2008-12-04 US disclosed
US-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION 2008-12-04 US disclosed
EP-1981898-A2 METAL COMPLEXES OF CYCLOMETALLATED IMIDAZOÝ1,2-f¨PHENANTHRIDINE AND DIIMIDAZOÝ1,2-A:1',2'-C¨QUINAZOLINE LIGANDS AND ISOELECTRONIC AND BENZANNULATED ANALOGS THEREOF Universal Display Corporation (US) 2008-10-22 EP disclosed
US-20080064733-A1 Small Molecule Inhibition of Pdz-Domain Interaction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-03-13 US disclosed
US-20080021082-A1 Small molecule inhibition of a PDZ-domain interaction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-24 US disclosed
WO-2007095118-A2 METAL COMPLEXES OF CYCLOMETALLATED IMIDAZO[1,2-f]PHENANTHRIDINE AND DIIMIDAZO[1,2-A:1',2'-C]QUINAZOLINE LIGANDS AND ISOELECTRONIC AND BENZANNULATED ANALOGS THEREOF UNIVERSAL DISPLAY CORPORATION (US) 2007-08-23 WO disclosed
US-20070190359-A1 Metal complexes of cyclometallated imidazo[1,2-ƒ]phenanthridine and diimidazo[1,2-a:1',2'-c]quinazoline ligands and isoelectronic and benzannulated analogs thereof UNIVERSAL DISPLAY CORPORATION 2007-08-16 US disclosed
US-20070190359-A1 Metal complexes of cyclometallated imidazo[1,2-ƒ]phenanthridine and diimidazo[1,2-a:1',2'-c]quinazoline ligands and isoelectronic and benzannulated analogs thereof UNIVERSAL DISPLAY CORPORATION 2007-08-16 US disclosed
US-20070190359-A1 Metal complexes of cyclometallated imidazo[1,2-ƒ]phenanthridine and diimidazo[1,2-a:1',2'-c]quinazoline ligands and isoelectronic and benzannulated analogs thereof UNIVERSAL DISPLAY CORPORATION 2007-08-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 CYP3A4 2539/4885TSHR 4576/4885MAPK1 1468/4885
US-20080064733-A1 Small Molecule Inhibition of Pdz-Domain Interaction DVL1, DVL3, PDLIM5 CYP3A4 4870/4885TSHR 4601/4885MAPK1 1036/4885
US-20240025868-A1 PHENOTHIAZINE COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER AGE-RELATED AND NEUROLOGICAL DISEASES ACE2, BACE2, PSEN2 CYP3A4 757/4885TSHR 4426/4885MAPK1 1577/4885
US-20080021082-A1 Small molecule inhibition of a PDZ-domain interaction DVL1, DVL3, PDLIM5 CYP3A4 4852/4885TSHR 4482/4885MAPK1 1070/4885
US-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS IK, CRY1, MAP1LC3C CYP3A4 1210/4885TSHR 4444/4885MAPK1 882/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.