SCHEMBL17797535

SCHEMBL17797535

COc1ccc(CNc2ccc3c(c2)CCNC3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.52
▸ KDM4E B2RXH2 5/20 0.52
▸ GAA P10253 4/20 0.52
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ ALOX15 P16050 1/20 0.46
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 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
SCHEMBL2640999 0.83 PNMT (0.50) RAB9AMEN1KMT2A
SCHEMBL8467911 0.77 CD274 (0.59) LMNAALOX15HSD17B10
SCHEMBL532484 0.77 CD274 (0.59) LMNAALOX15HSD17B10
SCHEMBL2484588 0.76 ASIC3 (0.50) —
Hydrochloric Acid SCHEMBL1188011 0.76 NPC1 (0.68) RAB9ANPC1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL587493 0.76 CD274 (0.58) LMNAALOX15HSD17B10
SCHEMBL25406296 0.75 CD274 (0.61) —
SCHEMBL31005784 0.74 MAPT (0.53) MAPTRAB9ANPC1L3MBTL1LMNA
SCHEMBL1844199 0.73 MAPT (0.82) MAPTRAB9ANPC1L3MBTL1LMNA
SCHEMBL10055019 0.73 MAPT (0.82) MAPTRAB9ANPC1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2016-06-09 — — US disclosed
WO-2016090079-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-09 — — 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 (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-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAPT 1888/4885RAB9A 580/4885NPC1 48/4885

“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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