SCHEMBL4099160

SCHEMBL4099160

CCCCC(=O)Nc1nc(C)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPT P10636 4/20 0.55
POLB P06746 4/20 0.55
TSHR P16473 3/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
MAPK1 P28482 2/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
ALOX12 P18054 1/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 1/20 0.53
GAA P10253 1/20 0.52
MAPK10 P53779 1/20 0.51

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
SCHEMBL1846537 0.90 CYP1A2 (0.68) SMN1; SMN2CYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL19994399 0.89 SMN1; SMN2 (0.65) SMN1; SMN2CYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL13681845 0.86 CNR1 (0.54) PDE5ASMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL7924468 0.85 POLB (0.58) PDE5ASMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL6820421 0.84 CYP1A2 (0.51) PDE5ASMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL4097866 0.83 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1MAPTPOLBTSHR
SCHEMBL20935220 0.82 PDE5A (0.66) PDE5ASMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL9836846 0.81 PDE5A (0.64) PDE5ASMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL6824163 0.80 SMN1; SMN2 (0.52) PDE5ASMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL6820510 0.80 NPC1 (0.51) SMN1; SMN2ALDH1A1MAPTPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2484342-A1 Hair resiliency / body improver and hair cosmetic Shiseido Company, Limited (JP) 2012-08-08 EP disclosed
CN-101953755-B Hair springiness and stiffness improving agent and hair cosmetic SHISEIDO CO LTD 2012-03-28 CN disclosed
CN-101953755-A The tension force of hair and toughness improving agent and hair-dressing cosmetics SHISEIDO CO LTD 2011-01-26 CN disclosed
US-20090233975-A1 Hair resiliency/body improver and hair cosmetic SHISEIDO COMPANY, LTD. (JP) 2009-09-17 US disclosed
CN-101232863-A Agent for improving hair tension and toughness and cosmetic for hair SHISEIDO CO LTD (JP) 2008-07-30 CN disclosed
EP-1911750-A1 AGENT FOR IMPROVEMENT IN BOUNCE/BODY OF HAIR, AND HAIR COSMETIC Shiseido Company, Limited (JP) 2008-04-16 EP 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-20090233975-A1 Hair resiliency/body improver and hair cosmetic MC1R, PNISR, HCRTR1 PDE5A 1885/4885SMN1; SMN2 3823/4885CYP1A2 354/4885

“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.