SCHEMBL20942575

SCHEMBL20942575

Cn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(=O)[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 15/20 0.58
▸ RAB9A P51151 14/20 0.58
▸ TP53 P04637 5/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ MAPT P10636 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ TAF1 P21675 1/20 0.54
▸ PKM P14618 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ HPGD P15428 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ NFKB1 P19838 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ KMT2A Q03164 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL19276576 0.80 NPC1 (0.60) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL30402413 0.78 TAF1 (0.65) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL20942542 0.78 TAF1 (0.65) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL20942497 0.77 NPC1 (0.58) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL19276664 0.77 SMN1; SMN2 (0.70) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL23240667 0.76 MEN1 (0.53) RAB9ATP53ALDH1A1HPGDKMT2A
SCHEMBL20942496 0.75 RAB9A (0.64) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL20942536 0.74 TAF1 (0.60) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL20942522 0.72 NPC1 (0.64) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL16127871 0.72 NPC1 (0.78) NPC1RAB9ATP53SMN1; SMN2MAPT

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-10702518-B2 TAF1 inhibitors for the therapy of cancer CeMM—FORSCHUNGSZENTRUM FÜR MOLEKULARE MEDIZIN GmbH (AT) 2020-07-07 — — US disclosed
US-20190117641-A1 TAF1 INHIBITORS FOR THE THERAPY OF CANCER CEMM - FORSCHUNGSZENTRUM FÜR MOLEKULARE MEDIZIN GMBH (AT) 2019-04-25 — — 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-20190117641-A1 TAF1 INHIBITORS FOR THE THERAPY OF CANCER TAF1, TAF1L, TAF5 NPC1 2981/4885RAB9A 3061/4885TP53 418/4885
US-10702518-B2 TAF1 inhibitors for the therapy of cancer TAF1, TAF1L, TAF5 NPC1 2981/4885RAB9A 3061/4885TP53 418/4885

“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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