SCHEMBL4948312

SCHEMBL4948312

CCOC(=O)c1cnn(-c2ccc(Br)cc2)c1N

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.81
RAB9A P51151 4/20 0.81
TSHR P16473 4/20 0.79
SMN1; SMN2 Q16637 2/20 0.79
HPGD P15428 2/20 0.76
MAPT P10636 6/20 0.70
HTT P42858 1/20 0.65
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
NPC1 O15118 5/20 0.59
TP53 P04637 2/20 0.59
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL26978013 0.89 ALDH1A1 (1.00) ALDH1A1RAB9ATSHRSMN1; SMN2HPGD
SCHEMBL16787630 0.88 ALDH1A1 (0.82) ALDH1A1RAB9ATSHRSMN1; SMN2HPGD
SCHEMBL6527991 0.87 ALDH1A1 (0.81) ALDH1A1RAB9ATSHRSMN1; SMN2HPGD
SCHEMBL1195022 0.87 ALDH1A1 (0.81) ALDH1A1RAB9ATSHRSMN1; SMN2HPGD
SCHEMBL8339357 0.86 ALDH1A1 (0.60) ALDH1A1RAB9ATSHRSMN1; SMN2HPGD
SCHEMBL1143334 0.86 ALDH1A1 (1.00) ALDH1A1RAB9ATSHRSMN1; SMN2HPGD
SCHEMBL1356015 0.86 ALDH1A1 (0.79) ALDH1A1RAB9ATSHRSMN1; SMN2HPGD
SCHEMBL3599042 0.85 ALDH1A1 (0.78) ALDH1A1RAB9ATSHRSMN1; SMN2HPGD
SCHEMBL18987325 0.85 HTT (0.77) ALDH1A1RAB9ATSHRSMN1; SMN2HPGD
SCHEMBL31117147 0.85 HTT (0.77) ALDH1A1RAB9ATSHRSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265068-A1 TRANSIENT RECEPTOR POTENTIAL CANONICAL 3 INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2023-08-24 US disclosed
US-20230265068-A1 TRANSIENT RECEPTOR POTENTIAL CANONICAL 3 INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2023-08-24 US disclosed
US-20230265068-A1 TRANSIENT RECEPTOR POTENTIAL CANONICAL 3 INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2023-08-24 US disclosed
WO-2022081573-A1 TRANSIENT RECEPTOR POTENTIAL CANONICAL 3 INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2022-04-21 WO disclosed
WO-2022081573-A1 TRANSIENT RECEPTOR POTENTIAL CANONICAL 3 INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2022-04-21 WO disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed
EP-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 EP disclosed
US-7393868-B2 AMPA receptor potentiators ELI LILLY AND COMPANY (US) 2008-07-01 US disclosed
EP-1893597-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2008-03-05 EP disclosed
US-20070142441-A1 AMPA receptor potentiators ELI LILLY AND COMPANY 2007-06-21 US disclosed
WO-2006132811-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2006-12-14 WO disclosed
US-6410533-B1 THERAPY FOR BACTERIA INFECTIONS GENZYME CORPORATION 2002-06-25 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-20070142441-A1 AMPA receptor potentiators GABRE, GRIN1, GRIK2 ALDH1A1 928/4885RAB9A 2816/4885TSHR 235/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ALDH1A1 4135/4885RAB9A 2005/4885TSHR 449/4885
US-20230265068-A1 TRANSIENT RECEPTOR POTENTIAL CANONICAL 3 INHIBITORS AND METHODS OF USE THEREOF TRPC3, TRPV3, TRPV1 ALDH1A1 3563/4885RAB9A 2801/4885TSHR 913/4885

“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.