SCHEMBL3978692

SCHEMBL3978692

CC(C)c1ccccc1NC(=O)CBr

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
NLRP3 Q96P20 1/20 0.55
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
RECQL P46063 2/20 0.50
POLB P06746 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
MEN1 O00255 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL4970400 0.85 LMNA (0.48) KMT2ANLRP3LMNAGRIN2DGRIN3B
SCHEMBL10695522 0.84 KMT2A (0.60) KMT2ANLRP3MAPTLMNARECQL
SCHEMBL13652637 0.84 KMT2A (0.60) KMT2ANLRP3MAPTLMNARECQL
SCHEMBL7647891 0.83 KMT2A (0.58) KMT2ANLRP3MAPTLMNARECQL
SCHEMBL31337280 0.83 KMT2A (0.58) KMT2ANLRP3MAPTLMNARECQL
SCHEMBL7769522 0.83 SMN1; SMN2 (0.68) KMT2ANLRP3MAPTLMNARECQL
SCHEMBL29531243 0.81 MAPK1 (0.50) KMT2ARECQLMEN1
SCHEMBL1939816 0.81 MAPK1 (0.50) KMT2ARECQLMEN1
SCHEMBL3408925 0.81 SMN1; SMN2 (0.70) KMT2ANLRP3LMNAMEN1
SCHEMBL9979145 0.80 KMT2A (0.56) KMT2ANLRP3MAPTLMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed
US-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 US disclosed
EP-0987254-B1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2004-12-22 EP disclosed
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 US disclosed
EP-0987254-A1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2000-03-22 EP 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-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 KMT2A 433/4885NLRP3 1609/4885MAPT 1164/4885

“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.