SCHEMBL6624352

SCHEMBL6624352

Cc1cc(C)c(N)c(I)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 7/20 0.43
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 3/20 0.37
RAPGEF4 Q8WZA2 3/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HSD17B10 Q99714 1/20 0.33
NUDT1 P36639 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
SCHEMBL22197813 0.86 ALDH1A1 (0.47) KDM4EALDH1A1TSHRTDP1CYP3A4
SCHEMBL139002 0.80 ALDH1A1 (0.65) KDM4EALDH1A1TSHRTDP1CYP3A4
SCHEMBL29066927 0.79 CYP3A4 (0.43) KDM4EALDH1A1TSHRTDP1CYP3A4
SCHEMBL30578150 0.77 ALDH1A1 (0.61) KDM4EALDH1A1TSHRTDP1CYP3A4
SCHEMBL30578152 0.77 ALDH1A1 (0.61) KDM4EALDH1A1TSHRTDP1CYP3A4
SCHEMBL28908462 0.77 ALDH1A1 (0.61) KDM4EALDH1A1TSHRTDP1CYP3A4
Methane SCHEMBL2038793 0.77 ALDH1A1 (0.61) KDM4EALDH1A1TSHRTDP1CYP3A4
Hydrochloric Acid SCHEMBL5621296 0.77 ALDH1A1 (0.61) KDM4EALDH1A1TSHRTDP1CYP3A4
Bromide SCHEMBL29858695 0.77 ALDH1A1 (0.61) KDM4EALDH1A1TSHRTDP1CYP3A4
SCHEMBL28217273 0.77 ALDH1A1 (0.61) KDM4EALDH1A1TSHRTDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707773-A Preparation method and application of maleimide structure-containing compound 中国农业大学 2025-03-28 CN claimed
US-12344571-B1 Organic color center-tailored, semiconducting carbon nanotubes and their method of manufacture UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2025-07-01 US disclosed
CN-119707773-A Preparation method and application of maleimide structure-containing compound 中国农业大学 2025-03-28 CN disclosed
CN-118754917-B Alpha-diimine ligand compound, nickel complex, composite complex, preparation method and application thereof 安徽中科科乐化工科技有限责任公司 2025-01-17 CN disclosed
EP-4122028-B1 HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-10-16 EP disclosed
CN-118754917-A Alpha-diimine ligand compound, nickel complex, composite complex, preparation method and application thereof 安徽中科科乐化工科技有限责任公司 2024-10-11 CN 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
US-20230312613-A1 HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-10-05 US 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-20230147279-A1 HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-05-11 US disclosed
WO-1997035578-A1 TETRAHYDRO-BETA-CARBOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 1997-10-02 WO disclosed
WO-1997035480-A1 METHOD OF TREATING COMMON COLD OR ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1997-10-02 WO disclosed
EP-0797995-A2 Use of a 5-HT2 receptor antagonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1997-10-01 EP disclosed
EP-0797994-A2 Use of one or more 5-HT2 receptor antagonists in the manufacture of a medicament for treating the symptoms of venomous bites and stings ELI LILLY AND COMPANY (US) 1997-10-01 EP disclosed
US-5663178-A 5-HT2 RECEPTOR ANTABONISTS ELI LILLY AND COMPANY (US) 1997-09-02 US disclosed
US-5643916-A 5-HT(2B) RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 1997-07-01 US disclosed
US-5629317-A SEROTONIN ANTAGONIST ELI LILLY AND COMPANY (US) 1997-05-13 US disclosed
EP-0749313-A1 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed
WO-1996024351-A1 TETRAHYDRO-BETA-CARBOLINES, OCTAHYDRO-INDOLO-[2,3-c]QUINOLINES AND OCTAHYDRO-INDOLO-[2,3-c]-QUINUCLIDINES ELI LILLY AND COMPANY (US) 1996-08-15 WO disclosed
WO-1995024200-A1 METHOD FOR TREATING 5HT2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1995-09-14 WO 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 (3 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-20230147279-A1 HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, VDAC2, KCNC1 KDM4E 2547/4885ALDH1A1 649/4885TSHR 4593/4885
US-20230312613-A1 HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, VDAC2, KCNC1 KDM4E 2547/4885ALDH1A1 649/4885TSHR 4593/4885
US-12344571-B1 Organic color center-tailored, semiconducting carbon nanotubes and their method of manufacture NOS1, NOS3, NOS2 KDM4E 4548/4885ALDH1A1 754/4885TSHR 4597/4885

“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.