SCHEMBL4245262

SCHEMBL4245262

COc1cc(NC(=O)c2cc(Cl)c(Cl)s2)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.56
▸ MAPT P10636 3/20 0.52
▸ KMT2A Q03164 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HTT P42858 2/20 0.50
▸ P2RX1 P51575 1/20 0.50
▸ POLB P06746 2/20 0.46
▸ SCN2A Q99250 2/20 0.46
▸ SCN10A Q9Y5Y9 2/20 0.46
▸ TSHR P16473 2/20 0.46

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
SCHEMBL4244499 0.82 RAB9A (0.40) RAB9AMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL1917679 0.78 MAPT (0.66) RAB9AMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL12703093 0.77 RAB9A (0.53) RAB9AMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL20764058 0.73 KDM4E (0.68) RAB9AMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL29891480 0.72 KMT2A (0.66) RAB9AMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL28603807 0.72 KMT2A (0.66) RAB9AMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL21653136 0.72 SMN1; SMN2 (0.47) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL31680508 0.71 NPC1 (0.93) RAB9AKMT2ASMN1; SMN2NPC1MEN1
SCHEMBL21653092 0.70 DAO (0.41) RAB9AMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL21653127 0.69 KDM4E (0.45) RAB9AMAPTKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253685-A1 Product comprising at least one Cdc25 phosphatase inhibitor in combination with at least one other anti-cancer agent SOCIETE DE CONSEILS DE RECHERCHES ET D' APPLICATIONS SCIENTIFICQUES 2009-10-08 — — 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-20090253685-A1 Product comprising at least one Cdc25 phosphatase inhibitor in combination with at least one other anti-cancer agent CDC25A, CDC25C, CDC25B RAB9A 874/4885MAPT 1715/4885KMT2A 1292/4885

“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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