SCHEMBL3448497

SCHEMBL3448497

CSCC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCC(N2Cc3cnc(C)n3C2=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.51
F2 P00734 3/20 0.51
CCR1 P32246 2/20 0.39
UBE2N P61088 1/20 0.37
PPID Q08752 1/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
NR3C1 P04150 2/20 0.35

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
SCHEMBL13123159 0.92 F10 (0.44) F10F2UBE2NPPIDGAA
SCHEMBL13108438 0.92 F10 (0.53) F10F2CCR1CHRM2CHRM1
SCHEMBL14541606 0.91 F10 (0.43) F10F2UBE2NPPIDGAA
SCHEMBL3451653 0.90 F10 (0.52) F10F2CCR1ALDH1A1LMNA
SCHEMBL13108443 0.90 F10 (0.52) F10F2CCR1ALDH1A1LMNA
SCHEMBL3450217 0.90 F10 (0.54) F10F2CCR1CHRM2CHRM1
Hydrochloric Acid SCHEMBL3447312 0.89 F10 (0.51) F10F2CCR1ALDH1A1LMNA
SCHEMBL3449390 0.89 F10 (0.52) F10F2CCR1CHRM2CHRM1
SCHEMBL3448033 0.89 F10 (0.54) F10F2CCR1CHRM2CHRM1
SCHEMBL3452310 0.88 F10 (0.53) F10F2CCR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 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-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 F10 22/4885F2 1/4885CCR1 2570/4885

“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.