SCHEMBL89446

SCHEMBL89446

Cc1nnc(C)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
GPR3 P46089 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.52
ESR1 P03372 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP1A2 P05177 2/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2A6 P11509 1/20 0.44
CYP2C19 P33261 1/20 0.43
ENPP3 O14638 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
Ammonia Solution, Strong SCHEMBL27658861 0.97 SMN1; SMN2 (0.56) SMN1; SMN2GPR3NPC1RAB9AALDH1A1
SCHEMBL17153810 0.84 SMN1; SMN2 (0.47) SMN1; SMN2GPR3NPC1RAB9AALDH1A1
SCHEMBL30451373 0.84 KDM4E (0.71) SMN1; SMN2GPR3NPC1RAB9AALDH1A1
SCHEMBL18544881 0.84 SMN1; SMN2 (0.47) SMN1; SMN2GPR3NPC1RAB9AALDH1A1
SCHEMBL29717228 0.84 SMN1; SMN2 (0.47) SMN1; SMN2GPR3NPC1RAB9AALDH1A1
SCHEMBL2306302 0.84 MEN1 (0.50) SMN1; SMN2GPR3NPC1RAB9AALDH1A1
SCHEMBL8273098 0.84 SMN1; SMN2 (0.47) SMN1; SMN2GPR3NPC1RAB9AALDH1A1
SCHEMBL7074741 0.84 SMN1; SMN2 (0.47) SMN1; SMN2GPR3NPC1RAB9AALDH1A1
SCHEMBL5385941 0.84 SMN1; SMN2 (0.47) SMN1; SMN2GPR3NPC1RAB9AALDH1A1
SCHEMBL30645164 0.84 MEN1 (0.50) SMN1; SMN2GPR3NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 WO disclosed
WO-2022212819-A1 INDAZOLE DERIVATIVES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2022-10-06 WO disclosed
WO-2022140499-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2022-06-30 WO disclosed
EP-1857521-B2 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEM CORP (JP) 2021-12-22 EP disclosed
EP-3500559-B1 HETEROCYCLIC LIPOXIN ANALOGS AND USES THEROF UNIV COLLEGE DUBLIN NAT UNIV IRELAND DUBLIN (IE) 2021-06-16 EP disclosed
US-20200332193-A1 LIQUID CRYSTAL ELEMENT USED FOR PHASE CONTROL OF ELECTROMAGNETIC WAVE SIGNAL JNC CORPORATION (JP) 2020-10-22 US disclosed
WO-2020007017-A1 CHIRAL BISAMINO-ETHER COMPOUNDS, AND METHOD OF PREPARATION AND USE THEREOF JINAN UNIVERSITY (CN) 2020-01-09 WO disclosed
CN-110099898-A compound and use thereof 优曼尼蒂治疗公司 2019-08-06 CN disclosed
EP-2887964-B1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX INC (US) 2019-07-03 EP disclosed
US-10249830-B2 Carbazole-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-04-02 US disclosed
US-7223531-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2007-05-29 US disclosed
US-7202019-B2 Photothermographic imaging material KONICA MINOLTA HOLDINGS, INC. (JP) 2007-04-10 US disclosed
US-7176312-B2 Kinase inhibitor scaffolds and methods for their preparation THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-13 US disclosed
US-20070003884-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. (JP) 2007-01-04 US disclosed
US-20070003884-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. (JP) 2007-01-04 US disclosed
US-7115359-B2 Photothermographic material KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2006-10-03 US disclosed
US-20050037298-A1 Photothermographic material KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2005-02-17 US disclosed
EP-1500973-A2 Photothermographic material Konica Minolta Medical & Graphic, Inc. (JP) 2005-01-26 EP disclosed
US-20040101794-A1 Photothermographic imaging material KONICA MINOLTA HOLDINGS, INC. (JP) 2004-05-27 US disclosed
US-6207666-B1 TREATING PRECANCEROUS LESIONS BY ADMINISTERING 4-PHENYLPHTHALAZINE DERIVATIVE CELL PATHWAYS, INC. 2001-03-27 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 (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-10249830-B2 Carbazole-based compound and organic light-emitting device including the same OCIAD1, OXA1L, OCIAD2 SMN1; SMN2 3465/4885GPR3 907/4885NPC1 379/4885

“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.