SCHEMBL19089468

SCHEMBL19089468

COc1cccc(Oc2ccnc(Cl)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
BRCA1 P38398 1/20 0.51
HBB P68871 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PIN1 Q13526 1/20 0.51
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
DYRK1A Q13627 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
EGFR P00533 1/20 0.41
ROCK1 Q13464 1/20 0.40
KDR P35968 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL19510786 0.83 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL3277080 0.81 RAB9A (0.45) RAB9AL3MBTL1ROCK1KDRCYP1A2
SCHEMBL5377932 0.81 MAOB (0.49) ALDH1A1KDM4EMEN1BRCA1HBB
SCHEMBL17609059 0.81 MAP4K4 (0.50) ALDH1A1KDM4EL3MBTL1CYP1A2CYP2C9
SCHEMBL959837 0.80 L3MBTL1 (0.62) ALDH1A1KDM4EMEN1BRCA1HBB
SCHEMBL17608909 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1BRCA1HBB
SCHEMBL190518 0.79 PLAAT3 (0.48) ALDH1A1MEN1KMT2APIN1RAB9A
SCHEMBL8084915 0.78 KMO (0.42) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL7071599 0.78 MAP4K4 (0.45) PIN1RAB9AL3MBTL1CYP1A2CYP2C9
SCHEMBL8723629 0.77 MAPT (0.52) ALDH1A1KDM4EKMT2ARAB9AL3MBTL1

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-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-07-09 US disclosed
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-01-17 US disclosed
WO-2017114500-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF IN PHARMACY 恩瑞生物医药科技(上海)有限公司 2017-07-06 WO 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-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy EGFR, ABL1, CSNK1A1 ALDH1A1 2848/4885KDM4E 3634/4885MEN1 4602/4885
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY EGFR, ABL1, CSNK1A1 ALDH1A1 2848/4885KDM4E 3634/4885MEN1 4602/4885

“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.