SCHEMBL13628343

SCHEMBL13628343

CNC(=O)Nc1ccccc1N

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.73
ALDH1A1 P00352 1/20 0.73
RECQL P46063 1/20 0.73
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
HDAC3 O15379 14/20 0.56
HDAC1 Q13547 14/20 0.56
HDAC2 Q92769 14/20 0.56
MAPK1 P28482 1/20 0.56
HDAC10 Q969S8 9/20 0.53
HDAC6 Q9UBN7 8/20 0.53
HDAC4 P56524 7/20 0.53
HDAC7 Q8WUI4 7/20 0.53
HDAC11 Q96DB2 7/20 0.53
HDAC8 Q9BY41 7/20 0.53
HDAC9 Q9UKV0 7/20 0.53
HDAC5 Q9UQL6 7/20 0.53
NCOR2 Q9Y618 4/20 0.53
EPHA2 P29317 2/20 0.49
PTGS1 P23219 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
SCHEMBL9515806 0.87 NPC1 (0.67) SMN1; SMN2ALDH1A1RECQLNPC1RAB9A
SCHEMBL14003501 0.85 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1RECQLNPC1RAB9A
SCHEMBL28416832 0.83 ALDH1A1 (0.87) SMN1; SMN2ALDH1A1RECQLNPC1RAB9A
SCHEMBL28250804 0.81 POLB (0.64) ALDH1A1NPC1RAB9AHDAC3HDAC1
SCHEMBL824564 0.80 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1RECQLNPC1RAB9A
SCHEMBL19403215 0.80 NPC1 (0.59) SMN1; SMN2ALDH1A1RECQLNPC1RAB9A
SCHEMBL15196083 0.79 GAA (0.59) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL2625585 0.79 HDAC1 (0.55) SMN1; SMN2ALDH1A1NPC1RAB9AHDAC3
SCHEMBL29904721 0.79 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AHDAC3HDAC1
SCHEMBL463597 0.79 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2708534-B1 THIAZOLE COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANGHAI THEORION PHARMACEUTICAL CO LTD (CN) 2017-07-12 EP disclosed
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 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-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) MAP3K1, JUN, MAP3K7 SMN1; SMN2 3544/4885ALDH1A1 4310/4885RECQL 4118/4885

“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.