SCHEMBL3699398

SCHEMBL3699398

CC[C@@H](C)[CH]c1nc(-c2ccccc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 4/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CYP3A4 P08684 1/20 0.44
STAT1 P42224 1/20 0.43
SREBF2 Q12772 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
HTT P42858 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
AR P10275 1/20 0.41

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
SCHEMBL3698383 0.80 MEN1 (0.45) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL4573034 0.76 ALDH1A1 (0.55) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL21784013 0.74 ALDH1A1 (0.49) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL27660527 0.73 ALDH1A1 (0.55) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL10622090 0.73 ALDH1A1 (0.55) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL2224538 0.73 ALDH1A1 (0.55) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL8661654 0.71 RAB9A (0.49) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL11697020 0.70 ALDH1A1 (0.52) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL7271817 0.70 ALDH1A1 (0.51) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL7271819 0.70 ALDH1A1 (0.51) ALDH1A1RAB9AMAPTKMT2ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541462-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2013-09-24 US disclosed
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2012-05-17 US disclosed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 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-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 ALDH1A1 1733/4885RAB9A 960/4885MAPT 3996/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 ALDH1A1 1733/4885RAB9A 960/4885MAPT 3996/4885

“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.