SCHEMBL508662

SCHEMBL508662

CC(NN)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL28277824 0.78 SMN1; SMN2 (0.47) SMN1; SMN2POLBCYP1A2ALDH1A1LMNA
SCHEMBL10087237 0.78 ALDH1A1 (0.50) SMN1; SMN2POLBCYP1A2ALDH1A1LMNA
SCHEMBL178498 0.78 ALDH1A1 (0.50) SMN1; SMN2POLBCYP1A2ALDH1A1LMNA
SCHEMBL8284221 0.78 ALDH1A1 (0.50) SMN1; SMN2POLBCYP1A2ALDH1A1LMNA
SCHEMBL2663534 0.78 LMNA (0.41) SMN1; SMN2ALDH1A1LMNAALOX5KDM4E
SCHEMBL11455319 0.78 LMNA (0.41) SMN1; SMN2ALDH1A1LMNAALOX5KDM4E
SCHEMBL11947945 0.78 LMNA (0.41) SMN1; SMN2ALDH1A1LMNAALOX5KDM4E
SCHEMBL11633101 0.76 ADRB2 (0.56) SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL10087169 0.76 POLB (0.47) SMN1; SMN2POLBCYP1A2ALDH1A1LMNA
SCHEMBL10087160 0.76 POLB (0.47) SMN1; SMN2POLBCYP1A2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528901-B9 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP disclosed
EP-2528901-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-05-27 EP disclosed
US-8791272-B2 Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-29 US disclosed
CN-102884051-A Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INT 2013-01-16 CN disclosed
EP-2528901-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092140-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
US-4081596-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1978-03-28 US disclosed
US-4005215-A DIURETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 US disclosed
US-3978077-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (GB) 1976-08-31 US disclosed
US-3957814-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 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 (1 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-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH3 SMN1; SMN2 4161/4885POLB 4509/4885CYP1A2 172/4885

“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.