SCHEMBL38689

SCHEMBL38689

[c]1ccccc1-c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
ATAD2 Q6PL18 1/20 0.38
PABPC1 P11940 1/20 0.35
APOBEC3A P31941 1/20 0.35
EIF4H Q15056 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
AR P10275 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTK2 Q05397 1/20 0.34
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL9958649 0.96 NOTUM (0.50) NOTUMMAPTLMNANPC1RAB9A
SCHEMBL9958407 0.85 NOTUM (0.48) NOTUMMAPTLMNANPC1RAB9A
SCHEMBL9958209 0.84 NOTUM (0.41) NOTUMMAPTLMNANPC1RAB9A
SCHEMBL38202 0.80 ALDH1A1 (0.42) NOTUMMAPTLMNANPC1RAB9A
SCHEMBL41140 0.80 ALDH1A1 (0.42) NOTUMMAPTLMNANPC1RAB9A
SCHEMBL183516 0.80 ALDH1A1 (0.35) RAB9AALDH1A1KMT2A
SCHEMBL28544762 0.78 ALDH1A1 (0.40) NOTUMMAPTLMNANPC1RAB9A
SCHEMBL38500 0.77 CYP2A6 (0.54) MAPTLMNANPC1RAB9ACYP1A2
SCHEMBL10013004 0.77 HDAC4 (0.35)
SCHEMBL9958537 0.77 CYP2A6 (0.54) MAPTLMNANPC1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115746316-B Zinc fluorescent metal organic framework material with high recognition performance on aluminum ions and preparation method thereof 盐城师范学院 2023-07-11 CN claimed
CN-114437087-B N-containing organic compound and application thereof in organic light-emitting device and panel 武汉天马微电子有限公司 2023-06-30 CN claimed
CN-116113255-A Organic electroluminescent device, preparation method thereof and panel 湖北长江新型显示产业创新中心有限公司 2023-05-12 CN claimed
CN-115746316-A Zinc fluorescent metal organic framework material with high aluminum ion recognition performance and preparation method thereof 盐城师范学院 2023-03-07 CN claimed
CN-114437087-A N-containing organic compound and application thereof in organic light-emitting device and panel 武汉天马微电子有限公司 2022-05-06 CN claimed
CN-113880818-A Organic compound and blue light organic electroluminescent device 机光科技股份有限公司 2022-01-04 CN claimed
CN-113735789-A Organic compound and red organic electroluminescent device 机光科技股份有限公司 2021-12-03 CN claimed
CN-108117495-B Spirofluorene ring compound, use thereof, and organic electroluminescent device using the same 北京鼎材科技有限公司 2021-11-19 CN claimed
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA REATA PHARMACEUTICALS, INC. (US) 2021-09-23 US claimed
EP-3807265-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA Reata Pharmaceuticals, Inc. (US) 2021-04-21 EP claimed
WO-2000012477-A1 HYDROXAMIC ACID DERIVATIVES AS PROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-03-09 WO claimed
US-6030969-A ADENOSINE KINASE INHIBITORS; ANTIISCHEMIA,-INFLAMMATORY, -DIABETIC AGENTS; NEUROLOGICAL AND GASTROINTESTINAL DISORDERS; NOCIPERCEPTION, IMMUNOSUPPRESSION; SEPSIS ABBOTT LABORATORIES (US) 2000-02-29 US claimed
EP-0979230-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-16 EP claimed
EP-0975633-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL 2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-02 EP claimed
CN-1230175-A Cytostatic hydroximic acid derivatives BRITISH BIOTECH PHARM (GB) 1999-09-29 CN claimed
WO-1998046604-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
WO-1998046603-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
CN-1173170-A Matrix metalloprotease inhibitors SYNTEX INC (US) 1998-02-11 CN claimed
EP-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 EP claimed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 WO claimed

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

For each of this compound's patents that has machine-readable text (1 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-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA RORC, RORB, RORA NOTUM 3176/4885MAPT 2396/4885LMNA 4357/4885

“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.