SCHEMBL10126727

SCHEMBL10126727

CCCNC(=O)c1ccc(N)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ NAMPT P43490 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ SLC22A2 O15244 1/20 0.44
▸ SLC22A1 O15245 1/20 0.44

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
SCHEMBL27452028 0.91 HTT (0.57) L3MBTL1SMN1; SMN2HTTHTR2AALDH1A1
SCHEMBL3106472 0.87 CRBN (0.46) SMN1; SMN2HTTHTR2AALDH1A1NPC1
SCHEMBL14280004 0.84 ALOX15 (0.50) POLBSMN1; SMN2HTTALDH1A1NPC1
SCHEMBL8007699 0.84 L3MBTL1 (0.51) POLBL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL31203044 0.83 SMN1; SMN2 (0.74) SMN1; SMN2HTTALDH1A1NPC1RAB9A
SCHEMBL6983716 0.83 POLB (0.72) POLBL3MBTL1THRBRECQLTDP1
SCHEMBL14547928 0.83 POLB (0.51) POLBL3MBTL1THRBRECQLTDP1
SCHEMBL24916917 0.82 SMN1; SMN2 (0.43) POLBSMN1; SMN2HTTHTR2AALDH1A1
SCHEMBL22123577 0.81 SMN1; SMN2 (0.45) SMN1; SMN2HTTHTR2AALDH1A1NPC1
SCHEMBL12172265 0.81 HTT (0.62) POLBL3MBTL1SMN1; SMN2HTTALDH1A1

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
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 — — US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 — — US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 — — US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 — — 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 POLB 4590/4885L3MBTL1 1714/4885THRB 4052/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 POLB 4590/4885L3MBTL1 1714/4885THRB 4052/4885

“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.

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