SCHEMBL6030837

SCHEMBL6030837

COc1cc(Br)cc(N=O)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ ERN1 O75460 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PTGS2 P35354 1/20 0.32

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
SCHEMBL11957888 0.84 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL23017120 0.79 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ARAB9ANPSR1
SCHEMBL29556081 0.79 CYP3A4 (0.36) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL309832 0.77 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL202288 0.77 ALDH1A1 (0.69) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL20925070 0.75 ALDH1A1 (0.40) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL14088888 0.75 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3966378 0.74 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ARAB9ANPSR1
SCHEMBL2999328 0.74 ALDH1A1 (0.65) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL17203652 0.71 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252777-A1 THIAZOLOPYRIMIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-10-04 — — US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 — — 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 (2 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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A ALDH1A1 2340/4885MAPT 4112/4885MEN1 3254/4885
US-20120252777-A1 THIAZOLOPYRIMIDINE COMPOUNDS SYK, BTK, ZAP70 ALDH1A1 2469/4885MAPT 3595/4885MEN1 3729/4885

“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.

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