SCHEMBL13628993

SCHEMBL13628993

FCc1nc2cc(Br)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
PDPK1 O15530 1/20 0.39
LMNA P02545 1/20 0.38
NOS1 P29475 1/20 0.38

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
SCHEMBL1976712 0.82 TDP1 (0.51) RAB9ANPC1KMT2AALDH1A1MAPT
SCHEMBL12350646 0.82 DDAH1 (0.58) RAB9ANPC1KMT2AALDH1A1MAPT
SCHEMBL31570020 0.82 TDP1 (0.51) RAB9ANPC1KMT2AALDH1A1MAPT
SCHEMBL17513343 0.82 CACNA1H (0.50) RAB9ANPC1KMT2AALDH1A1MAPT
SCHEMBL1798574 0.82 RAB9A (0.42) RAB9ANPC1KMT2AALDH1A1MAPT
SCHEMBL1170673 0.79 PDPK1 (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2PDPK1
SCHEMBL12940748 0.78 CSNK2A1 (0.45) RAB9ANPC1KMT2AALDH1A1MAPT
SCHEMBL31709424 0.78 NPC1 (0.49) RAB9ANPC1KMT2AALDH1A1MAPT
SCHEMBL16188992 0.78 PKM (0.59) RAB9ANPC1KMT2AALDH1A1MAPT
SCHEMBL11226441 0.78 RAB9A (0.39) RAB9ANPC1KMT2AALDH1A1MAPT

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-7612211-B2 Benzimidazole TRPV1 inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US disclosed
US-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-19 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-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS TRPV1, TRPV2, TRPA1 RAB9A 3194/4885NPC1 282/4885KMT2A 4261/4885

“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.