SCHEMBL4525501

SCHEMBL4525501

Cc1ccccc1CC1CCN(Cc2c(Cl)cccc2Cl)C1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.45
CYP26A1 O43174 1/20 0.41
CYP24A1 Q07973 1/20 0.41
C5AR1 P21730 1/20 0.40
CXCR4 P61073 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ROCK2 O75116 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CCR3 P51677 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL4505471 0.90 P2RX7 (0.49) P2RX7C5AR1CXCR4ALDH1A1MEN1
SCHEMBL4523847 0.85 LMNA (0.48) MEN1KMT2AROCK2KDM4E
SCHEMBL14177628 0.85 CYP26A1 (0.46) CYP26A1CYP24A1MEN1KMT2ASMN1; SMN2
SCHEMBL4514642 0.83 P2RX7 (0.47) P2RX7C5AR1CXCR4ALDH1A1MEN1
SCHEMBL4509814 0.78 SIGMAR1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL14177625 0.78 ALDH1A1 (0.50) CXCR4ALDH1A1KMT2AROCK2
SCHEMBL14177631 0.78 ALDH1A1 (0.47) P2RX7CXCR4ALDH1A1ROCK2KDM4E
SCHEMBL4510232 0.77 P2RX7 (0.58) P2RX7ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4513457 0.76 TNKS (0.43) CYP26A1CYP24A1MEN1KMT2AKDM4E
SCHEMBL4508462 0.75 P2RX7 (0.44) P2RX7CXCR4ALDH1A1KDM4E

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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 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 (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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 P2RX7 3946/4885CYP26A1 66/4885CYP24A1 54/4885

“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.