SCHEMBL3274402

SCHEMBL3274402

Brc1cnc(NCc2ccccc2-c2ccccc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
NPC1 O15118 2/20 0.43
PKM P14618 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
BRD4 O60885 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.41
TPH1 P17752 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL309144 0.89 SMN1; SMN2 (0.43) HDAC3HDAC1HDAC2HDAC6NPC1
SCHEMBL308835 0.79 TPH1 (0.52) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL22191398 0.78 ALDH1A1 (0.57) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL3274458 0.75 AKT1 (0.45) HDAC3HDAC1HDAC2HDAC6BRD4
SCHEMBL3980734 0.69 ALDH1A1 (0.46) HDAC3HDAC1HDAC2HDAC6BRD4
SCHEMBL16381665 0.68 STIM1 (0.43) NPC1PKMRAB9ASMN1; SMN2MEN1
SCHEMBL4729595 0.68 HDAC6 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL308051 0.68 TPH1 (0.51) MEN1KMT2ALMNAMAPTTPH1
SCHEMBL6779496 0.67 FFAR1 (0.55) HDAC3HDAC1HDAC2HDAC6BRD4
SCHEMBL6827809 0.67 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2MEN1KMT2ALMNA

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
CN-102186476-A Tryptophan hydroxylase inhibitors and methods of their use LEXICON PHARMACEUTICALS INC 2011-09-14 CN disclosed
US-20100087433-A1 Methods of inhibiting tryptophan hydroxylase LEXICON PHARMACEUTICALS, INC. 2010-04-08 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-20100087433-A1 Methods of inhibiting tryptophan hydroxylase TPH1, TPH2, HNMT HDAC3 1212/4885HDAC1 1157/4885HDAC2 986/4885

“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.