SCHEMBL17754069

SCHEMBL17754069

Cn1cc(C(=O)NCc2cccs2)c2cc[nH]c2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ TAF1 P21675 1/20 0.51
▸ CECR2 Q9BXF3 1/20 0.51
▸ BRD9 Q9H8M2 1/20 0.51
▸ HPGD P15428 8/20 0.49
▸ HSD17B10 Q99714 5/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MAPK10 P53779 1/20 0.49

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
SCHEMBL17754063 0.82 BRD4 (0.71) ALDH1A1TP53LMNATAF1CECR2
SCHEMBL17753671 0.77 BRD4 (0.52) ALDH1A1LMNATAF1CECR2BRD9
SCHEMBL17754065 0.76 PDE10A (0.53) TP53LMNATAF1CECR2BRD9
SCHEMBL17754064 0.76 BRD9 (0.55) ALDH1A1RAB9ATAF1CECR2BRD9
SCHEMBL17753983 0.75 BRD9 (0.66) ALDH1A1MAPK1TAF1CECR2BRD9
SCHEMBL17754174 0.74 CECR2 (0.59) TAF1CECR2BRD9BRD4
SCHEMBL17749030 0.73 TAF1 (0.61) TAF1CECR2BRD9KMT2ABRD4
SCHEMBL17753895 0.73 TAF1 (0.58) ALDH1A1LMNATAF1CECR2BRD9
SCHEMBL17753695 0.73 TAF1 (0.58) RAB9ATAF1CECR2BRD9NPC1
SCHEMBL17753997 0.73 TAF1 (0.64) ALDH1A1MAPK1LMNATAF1CECR2

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-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 — — US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 — — 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 ALDH1A1 1563/4885RAB9A 1828/4885TP53 1133/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 ALDH1A1 1563/4885RAB9A 1828/4885TP53 1133/4885

“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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