SCHEMBL3860609

SCHEMBL3860609

c1ccc(N2CNCO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
BPTF Q12830 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
CYP2D6 P10635 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32

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
SCHEMBL1406399 0.72
SCHEMBL363383 0.64 LMNA (0.45) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL56706 0.64 ADRB1 (0.75) SIGMAR1HTR3EHTR3BADRB1HTR3A
Water SCHEMBL28163332 0.62 ADRB1 (0.72) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL27463408 0.62 SIGMAR1 (0.43) SIGMAR1HTR3EHTR3BADRB1HTR3A
Ammonia Solution, Strong SCHEMBL20512352 0.62 ADRB1 (0.72) SIGMAR1HTR3EHTR3BADRB1HTR3A
Hydrochloric Acid SCHEMBL11019815 0.62 ADRB1 (0.72) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL27513171 0.62 LMNA (0.43) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL5655247 0.62
SCHEMBL12495425 0.61 LMNA (0.52) SIGMAR1HTR3EHTR3BADRB1HTR3A

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
US-8445630-B2 Polymers BASF SE (DE) 2013-05-21 US disclosed
EP-1858976-B1 NOVEL POLYMERS BASF SE (DE) 2009-10-14 EP disclosed
US-20090105447-A1 Novel Polymers UDC IRELAND LIMITED (IE) 2009-04-23 US disclosed
EP-1858976-A1 NOVEL POLYMERS Ciba Specialty Chemicals Holding Inc. (CH) 2007-11-28 EP disclosed
WO-2006097419-A1 NOVEL POLYMERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-09-21 WO disclosed
US-4758263-A 2-(2,5-difluorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5 diones SANDOZ LTD. (CH) 1988-07-19 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-20090105447-A1 Novel Polymers PLEC, VIM, PUF60 SIGMAR1 2375/4885HTR3E 3623/4885HTR3B 4109/4885

“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.