SCHEMBL25364804

SCHEMBL25364804

COc1cc(NC(=O)c2cccc(Br)c2Cl)cc(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.64
▸ NPC1 O15118 5/20 0.64
▸ P2RX1 P51575 1/20 0.56
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ AHR P35869 1/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ HTT P42858 2/20 0.54
▸ JAK2 O60674 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.51
▸ TP53 P04637 2/20 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
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 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
SCHEMBL31092075 0.86 NPC1 (0.79) RAB9ANPC1P2RX1MEN1KMT2A
SCHEMBL28603807 0.80 KMT2A (0.66) RAB9ANPC1P2RX1MEN1KMT2A
SCHEMBL29891480 0.80 KMT2A (0.66) RAB9ANPC1P2RX1MEN1KMT2A
SCHEMBL30758588 0.78 RAB9A (1.00) RAB9ANPC1KMT2ASMN1; SMN2HTT
SCHEMBL1499642 0.78 RAB9A (1.00) RAB9ANPC1KMT2ASMN1; SMN2HTT
SCHEMBL1017706 0.74 NPC1 (0.64) RAB9ANPC1P2RX1MEN1KMT2A
SCHEMBL12218316 0.73 NPC1 (0.70) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL2730695 0.73 LMNA (0.48) MEN1KMT2AHTTALDH1A1CYP1A2
SCHEMBL29627858 0.73 LMNA (0.48) MEN1KMT2AHTTALDH1A1CYP1A2
SCHEMBL1499502 0.73 KMT2A (0.75) RAB9ANPC1MEN1KMT2AAHR

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-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 — — 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-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO RAB9A 761/4885NPC1 2880/4885P2RX1 969/4885

“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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