SCHEMBL9035635

SCHEMBL9035635

O=Cc1cccc(OCc2cccnc2)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.68
MAOB P27338 7/20 0.68
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
CDK4 P11802 1/20 0.51
CCNB1 P14635 1/20 0.51
CCND1 P24385 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
GPR132 Q9UNW8 3/20 0.50

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
SCHEMBL28011530 0.85 MAPK1 (0.64) MAOBTDP1MAPK1LMNAGPR132
SCHEMBL7323498 0.84 MAOA (0.74) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL7865894 0.84 MAPK1 (0.56) RAB9ATDP1MAPK1ALDH1A1LMNA
SCHEMBL8020581 0.82 ALDH1A1 (0.74) ALDH1A1LMNATHRBSMN1; SMN2CCNB2
SCHEMBL8020587 0.82 ALDH1A1 (0.74) ALDH1A1LMNATHRBSMN1; SMN2CCNB2
SCHEMBL314161 0.82 MAOB (1.00) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL29454637 0.82 MAOB (1.00) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL18002137 0.79 PTPN1 (0.45) MAOAMAOBMAPK1ALDH1A1LMNA
SCHEMBL22964344 0.79 MAPK1 (0.58) MAPK1GPR132
SCHEMBL22964151 0.78 MAPK1 (0.54) MAPK1GPR132

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230406829-A1 Heterocyclic Compound and Preparation Method and Use Thereof SYNTRON (JIANGSU) PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-12-21 US disclosed
CN-112321513-B Heterocyclic compound and preparation method and application thereof 药康众拓(江苏)医药科技有限公司 2022-12-23 CN disclosed
CN-112321513-A Heterocyclic compound and preparation method and application thereof 中国药科大学 2021-02-05 CN disclosed
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 EP disclosed
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US disclosed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 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 (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-20230406829-A1 Heterocyclic Compound and Preparation Method and Use Thereof PDCD1, CD274, PDCD1LG2 MAOA 2641/4885MAOB 3125/4885NPC1 3539/4885

“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.