SCHEMBL19008976

SCHEMBL19008976

CON(C)C(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.53
CYP2C9 P11712 1/20 0.44
FAAH O00519 1/20 0.44
USP5 P45974 1/20 0.43
HPGD P15428 3/20 0.43
RAB9A P51151 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
CXCL12 P48061 1/20 0.40
HDAC1 Q13547 1/20 0.39

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
SCHEMBL16563797 0.84 MLYCD (0.55) MLYCDFAAHHPGDRAB9ASMN1; SMN2
SCHEMBL623946 0.81 PKM (0.56) MLYCDHPGDRAB9AL3MBTL1ALDH1A1
SCHEMBL6616024 0.81 MLYCD (0.56) MLYCDCYP2C9HPGDRAB9ASMN1; SMN2
SCHEMBL103818 0.80 SMN1; SMN2 (0.55) CYP2C9USP5HPGDRAB9AHTT
SCHEMBL14814668 0.80 HDAC4 (0.46) MLYCDHPGDHTTSMN1; SMN2ALDH1A1
SCHEMBL24512661 0.80 MLYCD (0.48) MLYCDCYP2C9HPGDALDH1A1MEN1
SCHEMBL1303906 0.79 MLYCD (0.57) MLYCDHPGDRAB9AHTTSMN1; SMN2
SCHEMBL22531823 0.79 MLYCD (0.57) MLYCDHPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL870352 0.79 MLYCD (0.57) MLYCDHPGDHTTSMN1; SMN2ALDH1A1
SCHEMBL1012521 0.79 MLYCD (0.57) MLYCDHPGDRAB9AL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758509-B2 Substituted 3-(5-membered unsaturated heterocyclyl-1, 3-dihydro-indol-2-one's and derivatives thereof as kinase inhibitors ALLERGAN, INC. (US) 2017-09-12 US disclosed
US-9758509-B2 Substituted 3-(5-membered unsaturated heterocyclyl-1, 3-dihydro-indol-2-one's and derivatives thereof as kinase inhibitors ALLERGAN, INC. (US) 2017-09-12 US disclosed
US-20170174664-A1 SUBSTITUTED 3-(5-MEMBERED UNSATURATED HETEROCYCLYL-1, 3-DIHYDRO-INDOL-2-ONE'S AND DERIVATIVES THEREOF AS KINASE INHIBITORS ALLERGAN, INC. 2017-06-22 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 (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-20170174664-A1 SUBSTITUTED 3-(5-MEMBERED UNSATURATED HETEROCYCLYL-1, 3-DIHYDRO-INDOL-2-ONE'S AND DERIVATIVES THEREOF AS KINASE INHIBITORS DSTYK, CDK2, ERBB2 MLYCD 1703/4885CYP2C9 4617/4885FAAH 2195/4885

“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.