SCHEMBL4461975

SCHEMBL4461975

CCC1CCCCN1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CYP1A2 P05177 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 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
SCHEMBL27772509 0.93
SCHEMBL3836641 0.85 KMT2A (0.38) MAPK1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL28758872 0.83 PSEN1 (0.38) MAPK1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL28284568 0.81 KMT2A (0.38) MAPK1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL773313 0.81 CYP1A2 (0.33) CYP1A2
SCHEMBL4970559 0.76 TP53 (0.36) MAPK1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL7704576 0.75 MAPT (0.38) KMT2AALDH1A1SMN1; SMN2TP53TSHR
SCHEMBL28260453 0.74 KMT2A (0.32) MAPK1KMT2AALDH1A1TP53TSHR
SCHEMBL5533907 0.74 MAPK1 (0.33) MAPK1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL27772493 0.74 S1PR1 (0.38) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115209735-A Fungicidal compositions 先正达农作物保护股份公司 2022-10-18 CN disclosed
CN-114026060-A Acrylate derivative, use thereof, and intermediate for production thereof 住友化学株式会社 2022-02-08 CN disclosed
CN-113382632-A Application of ethyl methoxypiperidine 先正达农作物保护股份公司 2021-09-10 CN disclosed
CN-113382632-A Application of ethyl methoxypiperidine 先正达农作物保护股份公司 2021-09-10 CN disclosed
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE COSTALES ABRAN (US) 2013-08-29 US disclosed
US-8415382-B2 Substituted benzazoles and methods of their use as inhibitors of RAF Kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-04-09 US disclosed
EP-1682126-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-01 EP disclosed
US-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase NOVARTIS AG 2009-02-05 US disclosed
US-7423150-B2 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2008-09-09 US disclosed
EP-1682126-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-26 EP disclosed
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2005-09-01 US disclosed
WO-2005037273-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-28 WO 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 (3 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-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase BRAF, RAF1, ARAF MAPK1 100/4885KMT2A 1557/4885ALDH1A1 1397/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF MAPK1 100/4885KMT2A 1557/4885ALDH1A1 1397/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF MAPK1 100/4885KMT2A 1557/4885ALDH1A1 1397/4885

“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.