SCHEMBL1593939

SCHEMBL1593939

CCC(C)c1c(-c2ccc(C(=O)N3CCCCC3)s2)n[nH]c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
YEATS4 O95619 1/20 0.39
HRH3 Q9Y5N1 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDK4 P11802 5/20 0.36
CCND1 P24385 5/20 0.36
POLB P06746 1/20 0.36
MAPK14 Q16539 1/20 0.35
SPR P35270 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL1593562 0.84 YEATS4 (0.45) ALDH1A1HPGDYEATS4HRH3KDM4E
SCHEMBL1594728 0.78 ALDH1A1 (0.38) ALDH1A1HPGDYEATS4HRH3KDM4E
SCHEMBL1594309 0.77 CDK4 (0.38) ALDH1A1HPGDYEATS4HRH3KDM4E
SCHEMBL19396266 0.73 HPGD (0.47) ALDH1A1HPGDYEATS4HRH3KDM4E
SCHEMBL9966107 0.71 SMN1; SMN2 (0.44) ALDH1A1HPGDYEATS4HRH3KDM4E
SCHEMBL1594691 0.71 SMN1; SMN2 (0.44) ALDH1A1HPGDYEATS4HRH3KDM4E
SCHEMBL19396263 0.69 ALDH1A1 (0.43) ALDH1A1HPGDYEATS4HRH3KDM4E
SCHEMBL1593936 0.69 ALDH1A1 (0.43) ALDH1A1HPGDYEATS4HRH3KDM4E
SCHEMBL1593824 0.68 YEATS4 (0.44) ALDH1A1HPGDYEATS4KDM4ENPC1
SCHEMBL3241197 0.68 HPGD (0.44) ALDH1A1HPGDYEATS4KDM4ENPC1

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-7919626-B2 Pyrazole compounds and uses thereof HELICON THERAPEUTICS, INC. (US) 2011-04-05 US disclosed
US-20070203154-A1 Therapeutic Compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 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-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B ALDH1A1 455/4885HPGD 1243/4885YEATS4 1892/4885

“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.