SCHEMBL4461978

SCHEMBL4461978

COC(C)C1CCCCN1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.43
SLC6A2 P23975 7/20 0.43
SLC6A4 P31645 6/20 0.43
DHFR P00374 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL23603002 0.93
SCHEMBL15166346 0.93
SCHEMBL4838694 0.93
SCHEMBL15818137 0.93
Hydrochloric Acid SCHEMBL15157640 0.91 SLC6A2 (0.36) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
Hydrochloric Acid SCHEMBL15157638 0.91 SLC6A2 (0.36) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
Hydrochloric Acid SCHEMBL15157637 0.91 SLC6A2 (0.36) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
Tert-Butyl Formate SCHEMBL27801680 0.82 TDP1 (0.38) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL271159 0.81 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL3601118 0.80 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4DHFRALDH1A1

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-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
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2005-09-01 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 (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 SLC6A3 3355/4885SLC6A2 4667/4885SLC6A4 4364/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF SLC6A3 3355/4885SLC6A2 4667/4885SLC6A4 4364/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF SLC6A3 3355/4885SLC6A2 4667/4885SLC6A4 4364/4885

“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.