SCHEMBL2935009

SCHEMBL2935009

CC(Br)C(=O)NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
MME P08473 1/20 0.58
MEN1 O00255 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
SLC1A2 P43004 1/20 0.56
CYP3A4 P08684 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
MMP8 P22894 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CACNA1C Q13936 1/20 0.53
SCN9A Q15858 1/20 0.53
CA9 Q16790 1/20 0.53

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
SCHEMBL146434 0.87 KMT2A (0.65) KMT2AMMEMEN1ALDH1A1MAPT
SCHEMBL15610313 0.85 KMT2A (0.57) KMT2AMMEMEN1ALDH1A1MAPT
SCHEMBL8760 0.85 KMT2A (0.67) KMT2AMMEMEN1ALDH1A1MAPT
SCHEMBL11737517 0.84 KMT2A (0.59) KMT2AMEN1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL23235729 0.83 KMT2A (0.65) KMT2AMMEMEN1ALDH1A1MAPT
SCHEMBL9062437 0.83 KMT2A (0.65) KMT2AMMEMEN1ALDH1A1MAPT
SCHEMBL10405578 0.83 KMT2A (0.65) KMT2AMMEMEN1ALDH1A1MAPT
SCHEMBL23879676 0.82 MME (0.63) KMT2AMMEMEN1ALDH1A1MAPT
SCHEMBL11733691 0.82 MEN1 (0.59) KMT2AMEN1ALDH1A1MAPTCYP3A4
SCHEMBL2936657 0.82 KMT2A (0.55) KMT2AMMEMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103130594-A Method preparing N-aryl and N-alkyl aromatic amine type compound from phenol type compound UNIV ZHEJIANG 2013-06-05 CN disclosed
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
CN-101115715-A Pyrrolidine derivatives for the treatment of diseases associated with renin activity NOVARTIS AG (CH) 2008-01-30 CN disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO disclosed
US-4017631-A MICROBIOCIDES JANSSEN PHARMACEUTICA N.V. (BE) 1977-04-12 US disclosed
US-4009168-A STABILIZERS FOR POLYOLEFINS UBE INDUSTRIES, LTD. (JA) 1977-02-22 US disclosed
US-3991202-A ANTIMICROBIALS JANSSEN PHARMACEUTICA N.V. (BE) 1976-11-09 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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD KMT2A 3722/4885MME 67/4885MEN1 1437/4885

“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.