SCHEMBL5576498

SCHEMBL5576498

CCCNC(=O)c1ccc(Br)cn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAOB P27338 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL30065409 0.87 KDM4E (0.55) RAB9ASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL10060679 0.87 KDM4E (0.55) RAB9ASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL285908 0.87 KDM4E (0.55) RAB9ANPC1KDM4EALDH1A1MAOB
SCHEMBL3213436 0.84 RECQL (0.61) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL7427750 0.84 MAOB (0.69) RAB9ASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL17967638 0.84 MAOB (0.53) RAB9ASMN1; SMN2MAPTPOLBKDM4E
SCHEMBL20460424 0.84 KMT2A (0.52) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL10707454 0.84 KDM4E (0.56) RAB9ASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL16393962 0.84 LMNA (0.51) SMN1; SMN2POLBKDM4EALDH1A1L3MBTL1
SCHEMBL21531034 0.83 CYP1A2 (0.57) SMN1; SMN2POLBKDM4EALDH1A1MAOB

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
EP-2662357-B1 BICYCLIC COMPOUNDS OR SALTS THEREOF FOR USE IN THE TREATMENT OF CANCER TAIHO PHARMACEUTICAL CO LTD (JP) 2016-08-03 EP disclosed
US-8912181-B2 Bicyclic compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-12-16 US disclosed
EP-2662357-A1 NOVEL BICYCLIC COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2013-11-13 EP disclosed
US-20130296320-A1 NOVEL BICYCLIC COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-11-07 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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 (2 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-20130296320-A1 NOVEL BICYCLIC COMPOUND OR SALT THEREOF HSP90AB1, HSP90AA1, HSP90AB2P RAB9A 979/4885NPC1 1614/4885SMN1; SMN2 4579/4885
US-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 RAB9A 2707/4885NPC1 473/4885SMN1; SMN2 4729/4885

“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.