SCHEMBL17346806

SCHEMBL17346806

Cc1ccccc1C(=O)Nc1ccc(-c2cc3c(cc2Br)OCO3)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.67
▸ NPC1 O15118 7/20 0.67
▸ HPGD P15428 4/20 0.67
▸ SMN1; SMN2 Q16637 4/20 0.67
▸ TP53 P04637 2/20 0.67
▸ ALDH1A1 P00352 6/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ MAPT P10636 7/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ LMNA P02545 3/20 0.50
▸ POLB P06746 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 2/20 0.48

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
SCHEMBL2582432 0.86 SMO (0.54) RAB9ANPC1HPGDSMN1; SMN2TP53
SCHEMBL15164958 0.86 SMN1; SMN2 (0.57) RAB9ANPC1HPGDSMN1; SMN2TP53
SCHEMBL12241419 0.85 NPC1 (0.58) RAB9ANPC1HPGDSMN1; SMN2TP53
SCHEMBL15164984 0.85 NPC1 (0.56) RAB9ANPC1HPGDSMN1; SMN2TP53
SCHEMBL2591409 0.80 RAB9A (0.56) RAB9ANPC1HPGDSMN1; SMN2TP53
SCHEMBL15164961 0.78 KMT2A (0.44) RAB9ANPC1HPGDSMN1; SMN2TP53
SCHEMBL2592609 0.78 NPC1 (0.66) RAB9ANPC1SMN1; SMN2TP53HTT
SCHEMBL29505090 0.78 NPC1 (0.66) RAB9ANPC1SMN1; SMN2TP53HTT
SCHEMBL12241440 0.77 NPC1 (0.47) RAB9ANPC1HPGDSMN1; SMN2TP53
SCHEMBL15171293 0.76 STIM1 (0.53) RAB9ANPC1HPGDSMN1; SMN2TP53

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-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-17 — — 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-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885HPGD 1883/4885

“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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