SCHEMBL4470965

SCHEMBL4470965

CCC(N)(CCO)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
ARG1 P05089 2/20 0.37
ARG2 P78540 2/20 0.37
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31

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
SCHEMBL2337669 0.82
SCHEMBL28577949 0.81 MEN1 (0.65) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL8240842 0.81 MEN1 (0.65) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL26670499 0.80
Hydrochloric Acid SCHEMBL18952379 0.79 MEN1 (0.44) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL6238533 0.79 ARG1 (0.44) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL6235982 0.79 ARG1 (0.44) MEN1ALDH1A1CYP1A2THRBKMT2A
Hydrochloric Acid SCHEMBL31604903 0.78 MEN1 (0.40) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL7086649 0.77 ALDH1A1 (0.73) MEN1ALDH1A1CYP1A2THRBKMT2A
Hydrochloric Acid SCHEMBL14631979 0.77 MEN1 (0.50) MEN1ALDH1A1CYP1A2THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2018-01-04 US disclosed
US-7572924-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. (US) 2009-08-11 US disclosed
US-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2007-01-11 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 (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-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 MEN1 4752/4885ALDH1A1 2124/4885CYP1A2 1541/4885
US-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, PLK2, PNCK MEN1 3885/4885ALDH1A1 2848/4885CYP1A2 3548/4885

“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.