SCHEMBL4877181

SCHEMBL4877181

COc1cccc(C2(C(=O)O)CCN(c3ncccn3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HPGD P15428 2/20 0.56
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
KDM4E B2RXH2 6/20 0.54
KMT2A Q03164 3/20 0.54
TP53 P04637 2/20 0.54
TSHR P16473 2/20 0.54
MEN1 O00255 1/20 0.54
CYP3A4 P08684 3/20 0.51
USP2 O75604 2/20 0.51
CYP2D6 P10635 1/20 0.51
HTT P42858 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP2C9 P11712 1/20 0.48
LMNA P02545 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46

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
SCHEMBL4873649 0.91 ALDH1A1 (0.56) ALDH1A1HPGDMAPTNPC1KDM4E
Hydrochloric Acid SCHEMBL4879160 0.88 ALDH1A1 (0.57) ALDH1A1HPGDMAPTNPC1KDM4E
SCHEMBL5479763 0.87 ALDH1A1 (0.53) ALDH1A1HPGDMAPTNPC1KDM4E
SCHEMBL5487731 0.87 ALDH1A1 (0.53) ALDH1A1HPGDMAPTNPC1KDM4E
Hydrochloric Acid SCHEMBL5482135 0.86 ALDH1A1 (0.52) ALDH1A1HPGDMAPTNPC1KDM4E
SCHEMBL4876766 0.85 KMT2A (0.46) ALDH1A1HPGDKDM4EKMT2ATP53
SCHEMBL4876701 0.85 ALDH1A1 (0.50) ALDH1A1HPGDMAPTNPC1KDM4E
SCHEMBL5475033 0.84 MAPT (0.58) ALDH1A1HPGDMAPTNPC1KDM4E
SCHEMBL4876690 0.84 SOAT1 (0.54) ALDH1A1MAPTKDM4EKMT2ATP53
Hydrochloric Acid SCHEMBL5488843 0.84 ALDH1A1 (0.49) ALDH1A1HPGDMAPTNPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 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 (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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 ALDH1A1 2899/4885HPGD 3005/4885MAPT 4852/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 ALDH1A1 2990/4885HPGD 2694/4885MAPT 4793/4885

“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.