SCHEMBL5773518

SCHEMBL5773518

N#CC(c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
HTR2A P28223 1/20 0.50
TRPA1 O75762 1/20 0.50
USP2 O75604 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C1 Q04828 1/20 0.50
ALPG P10696 2/20 0.46
NAAA Q02083 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8257454 0.91 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2HPGDHTT
SCHEMBL13198785 0.89 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2HPGDHTT
SCHEMBL181005 0.86 TSHR (0.56) ALDH1A1LMNASMN1; SMN2HPGDHTT
SCHEMBL909586 0.84 TSHR (0.54) ALDH1A1LMNASMN1; SMN2HPGDHTT
Hydrochloric Acid SCHEMBL27539023 0.84 TSHR (0.54) ALDH1A1LMNASMN1; SMN2HPGDHTT
SCHEMBL6307398 0.84 TSHR (0.54) ALDH1A1LMNASMN1; SMN2HPGDHTT
SCHEMBL29031409 0.81 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2HPGDHTT
SCHEMBL1033928 0.80 CYP19A1 (0.49) ALDH1A1LMNASMN1; SMN2HPGDHTT
Acetonitrile SCHEMBL28159901 0.79 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2HPGDHTT
SCHEMBL5052368 0.78 ALDH1A1 (0.74) ALDH1A1LMNASMN1; SMN2HPGDHTT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
WO-2004041285-A1 ANTIINFLAMMATION AGENTS AMGEN INC. (US) 2004-05-21 WO disclosed
EP-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed
US-4281141-A FUNGICIDES ELI LILLY AND COMPANY (US) 1981-07-28 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ALDH1A1 4135/4885LMNA 701/4885SMN1; SMN2 3450/4885
US-20070155777-A1 Antiinflammation agents TNF, NFATC1, NFKBIA ALDH1A1 3037/4885LMNA 4103/4885SMN1; SMN2 4729/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 ALDH1A1 99/4885LMNA 4664/4885SMN1; SMN2 1992/4885

“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.