SCHEMBL424930

SCHEMBL424930

COc1ccc2ccc(C)nc2c1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.57
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
POLB P06746 2/20 0.52
NQO2 P16083 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
EGFR P00533 1/20 0.50
GFER P55789 1/20 0.49
CYP2A6 P11509 1/20 0.48
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NCF1 P14598 1/20 0.47

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
SCHEMBL30081480 1.00 CYP1A2 (0.57) CYP1A2ALDH1A1KDM4EPOLBNQO2
SCHEMBL30081476 0.86 NCF1 (0.65) CYP1A2ALDH1A1KDM4EPOLBNQO2
SCHEMBL806266 0.86 NCF1 (0.65) CYP1A2ALDH1A1KDM4EPOLBNQO2
Iodide SCHEMBL28889538 0.84 NCF1 (0.62) CYP1A2ALDH1A1KDM4EPOLBNQO2
Iodomethane SCHEMBL28083726 0.82 NCF1 (0.61) CYP1A2ALDH1A1KDM4EPOLBNQO2
SCHEMBL2095030 0.82 CYP1A2 (0.55) CYP1A2KDM4EPOLBLMNA
SCHEMBL31060199 0.81
SCHEMBL13737643 0.79 MAPT (0.53) CYP1A2ALDH1A1KDM4EMEN1NPC1
SCHEMBL13737763 0.78 NCF1 (0.51) CYP1A2ALDH1A1HSD17B10NCF1
SCHEMBL9193884 0.78 NCF1 (0.56) CYP1A2ALDH1A1KDM4EPOLBNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330127-A1 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-19 US disclosed
WO-2022223033-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 WO disclosed
WO-2022223039-A1 SOS1 DEGRADER, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 WO disclosed
WO-2022223034-A1 SOS1 DEGRADATION AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 WO disclosed
US-11396505-B2 Inhibitors of CaMKK2 and uses of same NEW YORK UNIVERSITY (US) 2022-07-26 US disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME NEW YORK UNIVERSITY 2020-11-26 US disclosed
EP-2736885-B1 QUINOLINE-, QUINOXALINE OR BENZOTHIAZOLE BASED CYSTEINYL LEUKOTRIENE ANTAGONISTS (LTC4) SUN PHARMA ADVANCED RES CO LTD (IN) 2020-03-25 EP disclosed
CN-106083713-B A kind of chemical synthesis process of quinoline () quinoline -2- benzaldehyde compound 浙江工业大学 2019-07-26 CN disclosed
US-10300155-B2 Alpha-synuclein ligands WASHINGTON UNIVERSITY (US) 2019-05-28 US disclosed
EP-1406631-A2 DOPAMINE RECEPTOR LIGANDS AND THERAPEUTIC METHODS BASED THEREON THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2004-04-14 EP disclosed
WO-2002100350-A2 DOPAMINE RECEPTOR LIGANDS AND THERAPEUTIC METHODS BASED THEREON THE REGENTS OF UNIVERSITY OF MICHIGAN (US) 2002-12-19 WO disclosed
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP disclosed
CN-1054845-C Quinoline compounds NOVARTIS AG (CH) 2000-07-26 CN disclosed
EP-0643045-B1 Quinoline derivatives as leukotriene antagonists NOVARTIS AG (CH) 2000-03-08 EP disclosed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
US-5508408-A LEUKOTRIENE ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1996-04-16 US disclosed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP disclosed
CN-1105991-A Quinoline compounds CIBA GEIGY AG (CH) 1995-08-02 CN disclosed
EP-0643045-A1 Quinoline derivatives as leukoriene antagonists CIBA-GEIGY AG (CH) 1995-03-15 EP 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-11396505-B2 Inhibitors of CaMKK2 and uses of same CAMKK2, CAMKK1, CAMK1 CYP1A2 3639/4885ALDH1A1 4136/4885KDM4E 2731/4885
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C CYP1A2 572/4885ALDH1A1 1739/4885KDM4E 3044/4885
US-10300155-B2 Alpha-synuclein ligands SNCA, PARK7, LRRK2 CYP1A2 4628/4885ALDH1A1 2333/4885KDM4E 4649/4885
US-20230330127-A1 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS PRMT5, PRMT6, PRMT1 CYP1A2 2128/4885ALDH1A1 2200/4885KDM4E 61/4885
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME CAMKK2, CAMKK1, CAMK1 CYP1A2 3639/4885ALDH1A1 4136/4885KDM4E 2731/4885

“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.