SCHEMBL30299282

SCHEMBL30299282

c1ccc(Sc2ccc3c(c2)CCCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
KIF11 P52732 1/20 0.40
BCL2 P10415 1/20 0.39
MCL1 Q07820 1/20 0.39
HTR2C P28335 2/20 0.38
HTR6 P50406 1/20 0.38
SLC6A4 P31645 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
NFKB1 P19838 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL14376846 1.00 TSHR (0.46) TSHRMAOAMAOBKIF11BCL2
SCHEMBL30832955 0.85 ALDH1A1 (0.43) TSHRNPC1RAB9AMEN1KMT2A
SCHEMBL22681913 0.82 DPP4 (0.44) BCL2MCL1HTR2CHTR6NPC1
SCHEMBL22681700 0.82 NPC1 (0.42) TSHRHTR2CHTR6NPC1RAB9A
SCHEMBL11589086 0.82 NR1H2 (0.54) TSHRMAOAMAOBMEN1KMT2A
SCHEMBL10126099 0.82 NPC1 (0.43) TSHRHTR2CNPC1RAB9AMEN1
SCHEMBL22681949 0.82 HTR2C (0.44) TSHRHTR2CHTR6NPC1RAB9A
SCHEMBL10701951 0.82 DRD1 (0.49) MAOAMAOBSMN1; SMN2
SCHEMBL8810024 0.77 DDAH1 (0.52) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL22681569 0.77 HTR2C (0.45) TSHRHTR2CHTR6NPC1RAB9A

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-20230286917-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2023-09-14 US disclosed
US-11639333-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC (US) 2023-05-02 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 (2 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-20230286917-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A TSHR 3801/4885MAOA 430/4885MAOB 473/4885
US-11639333-B2 Histone demethylase inhibitors KDM1B, KDM5A, KDM1A TSHR 3801/4885MAOA 430/4885MAOB 473/4885

“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.