SCHEMBL21164632

SCHEMBL21164632

Cc1ccc(-c2ccc(I)c(-c3ccccc3)c2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
ESR2 Q92731 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
MCL1 Q07820 1/20 0.40
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
HTR7 P34969 2/20 0.38
NOTUM Q6P988 1/20 0.38
NPC1 O15118 3/20 0.38
GAA P10253 1/20 0.37
HPRT1 P00492 1/20 0.37
RAB9A P51151 2/20 0.36
APAF1 O14727 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL4198284 0.83 MEN1 (0.48) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL30323756 0.83 MEN1 (0.48) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL24656816 0.82 HPRT1 (0.53) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL6562964 0.82 MEN1 (0.44) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL1986773 0.81 ALDH1A1 (0.49) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL30645568 0.81 ALDH1A1 (0.49) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL455953 0.79 HSD17B1 (0.42) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL21164633 0.79 ALDH1A1 (0.52) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL21507844 0.79 MEN1 (0.40) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL26017270 0.79 PTGS2 (0.45) MEN1LMNAKMT2AALDH1A1MAPT

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-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 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-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A MEN1 629/4885LMNA 2851/4885KMT2A 1610/4885

“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.