SCHEMBL3450753

SCHEMBL3450753

Cc1ncc2n1C(=O)N(N1CCN(C(=O)C(CNC(=O)Nc3ccc(Cl)cc3)c3ccccc3)CC1)C2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.46
CASR P41180 1/20 0.39
CCR3 P51677 3/20 0.37
F2 P00734 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
CNR1 P21554 2/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCR1 P32246 1/20 0.34

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
SCHEMBL3449849 0.87 F10 (0.46) F10CASRF2ALDH1A1RAB9A
SCHEMBL3449335 0.87 F10 (0.46) F10CASRF2ALDH1A1RAB9A
SCHEMBL3450519 0.83 FPR2 (0.49) F10ALDH1A1CYP3A4
SCHEMBL3449432 0.83 F10 (0.49) F10LMNAKMT2ASMN1; SMN2
SCHEMBL3448772 0.83 FPR2 (0.49) F10ALDH1A1CYP3A4
SCHEMBL3449641 0.83 F10 (0.45) F10F2ALDH1A1RAB9A
SCHEMBL3451344 0.81 CCR1 (0.48) F10F2CCR1
SCHEMBL3450203 0.81 F10 (0.48) F10F2ALDH1A1CYP2C9RAB9A
SCHEMBL3449908 0.80 F10 (0.47) F10F2RAB9AKMT2ASMN1; SMN2
SCHEMBL3451874 0.80 F10 (0.47) F10F2RAB9AKMT2ASMN1; SMN2

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 7 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-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
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 22/4885CASR 3786/4885CCR3 3188/4885

“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.