SCHEMBL222131

SCHEMBL222131

Nc1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 1.00
KDM4E B2RXH2 12/20 1.00
SMN1; SMN2 Q16637 11/20 1.00
NPC1 O15118 10/20 1.00
RAB9A P51151 10/20 1.00
MAPT P10636 8/20 1.00
HPGD P15428 7/20 1.00
HSD17B10 Q99714 5/20 1.00
GFER P55789 3/20 1.00
TP53 P04637 3/20 1.00
POLB P06746 2/20 1.00
GAA P10253 4/20 0.72
USP2 O75604 2/20 0.72
TDP1 Q9NUW8 2/20 0.72
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
GLA P06280 4/20 0.69
RXFP1 Q9HBX9 2/20 0.69
RECQL P46063 2/20 0.69
PKN1 Q16512 1/20 0.66

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
Fluoride SCHEMBL31379729 0.98 ALDH1A1 (0.96) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
Methane SCHEMBL28366167 0.98 ALDH1A1 (0.96) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL2248110 0.91 SMN1; SMN2 (0.82) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL29386825 0.90 NPC1 (0.88) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL2178266 0.90 NPC1 (0.88) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL24295036 0.88 NPC1 (0.84) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL22499602 0.86 NPC1 (0.81) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL2252555 0.85 NPC1 (0.92) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL6506352 0.84 HPSE (0.87) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL105095 0.84 NPC1 (1.00) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025013869-A1 FLUORINE-CONTAINING POLYMER HAVING NITROGEN-CONTAINING AROMATIC RING, PRODUCTION METHOD THEREFOR, AND COMPOSITION THEREOF ダイキン工業株式会社 2025-01-16 WO claimed
CN-116836382-A Halogen-free antibacterial polyamide and preparation method thereof 四川轻化工大学 2023-10-03 CN claimed
CN-111808306-B Polyimide film with low thermal expansion coefficient and preparation method thereof 浙江中科玖源新材料有限公司 2023-04-07 CN claimed
CN-111808306-A Polyimide film with low thermal expansion coefficient and preparation method thereof 浙江中科玖源新材料有限公司 2020-10-23 CN claimed
CN-105705688-B The fiber of the mixture of copolymer comprising poly- (mpd-i) and made of 5 (6) amino 2 (p-aminophenyl) benzimidazoles 纳幕尔杜邦公司 2018-04-03 CN claimed
CN-105705689-B The sheet material and fibrid of the mixture for the copolymer being made comprising poly- (mpd-i) and by 5 (6) amino 2 (p-aminophenyl) benzimidazoles 纳幕尔杜邦公司 2017-11-07 CN claimed
CN-104040052-B The method for preparing the aramid copolymer yarn with low remaining sulphur 纳幕尔杜邦公司 2017-06-20 CN claimed
CN-103314142-B The preparation of copolymer fibre and drying 纳幕尔杜邦公司 2017-03-01 CN claimed
EP-2889027-A2 Oral preparation, injection preparation, external skin preparation and cosmetic method for preventing or improving wrinkles Shiseido Co., Ltd. (JP) 2015-07-01 EP claimed
EP-2295028-A1 PREPARATION FOR PREVENTING OR AMELIORATING WRINKLES, TO BE TAKEN ORALLY, THROUGH INJECTION, OR THROUGH EXTERNAL APPLICATION TO SKIN, AND COSMETIC METHOD Shiseido Company, Ltd. (JP) 2011-03-16 EP claimed
US-20110020477-A1 ORAL PREPARATION, INJECTION PREPARATION, EXTERNAL SKIN PREPARATION AND COSMETIC METHOD FOR PREVENTING OR IMPROVING WRINKLES SHISEIDO COMPANY, LTD. 2011-01-27 US claimed
EP-1635821-B1 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2009-07-08 EP claimed
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2007-05-31 US claimed
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-10 US claimed
EP-0226016-A1 Process for inhibiting hydrogen-induced corrosion of metallic materials BAYER AG (DE) 1987-06-24 EP claimed
US-4119478-A COLORLESS COMPOUND CONTAINING ONE OR MORE BASIC NITROGEN ATOMS ATTACHED TO CARBON IN PYRIDINE OR BENZIMIDAZOLE RING AND HAVING ONE OR MORE UREA OR URETHANE GROUPS CIBA-GEIGY CORPORATION (US) 1978-10-10 US claimed
JP-11071448-A None JP disclosed
CN-122036621-A Fluorine substituted benzimidazolyl aniline compound and synthetic method and application thereof 中茂绿能科技(西安)有限公司 2026-05-15 CN disclosed
EP-0057245-A2 Cationic triazine dyestuffs, their preparation and their use BAYER AG (DE) 1982-08-11 EP disclosed
US-4119478-A COLORLESS COMPOUND CONTAINING ONE OR MORE BASIC NITROGEN ATOMS ATTACHED TO CARBON IN PYRIDINE OR BENZIMIDAZOLE RING AND HAVING ONE OR MORE UREA OR URETHANE GROUPS CIBA-GEIGY CORPORATION (US) 1978-10-10 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 (2 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-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, LTB4R ALDH1A1 1890/4885KDM4E 3612/4885SMN1; SMN2 3517/4885
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 ALDH1A1 3108/4885KDM4E 4512/4885SMN1; SMN2 3416/4885

“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.