SCHEMBL3601560

SCHEMBL3601560

O=C(O)c1ccnc(-c2ccc(Oc3ccccc3C(F)(F)F)nc2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTR P02766 4/20 0.45
RBP4 P02753 3/20 0.45
XDH P47989 6/20 0.41
RORC P51449 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.38
KMO O15229 1/20 0.38
NTRK1 P04629 1/20 0.37
HTR2C P28335 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RY1 P47900 1/20 0.37

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
SCHEMBL3611226 0.83 RXRA (0.47) RBP4XDHRORCRXRARXRB
SCHEMBL3601557 0.79 GAA (0.55) MRGPRX4KMOP2RY1
SCHEMBL468007 0.72 P2RY1 (0.42) KMT2AP2RY1
SCHEMBL893266 0.70 TRPV3 (0.47) XDH
SCHEMBL696116 0.69 XDH (0.50) XDHKMOKMT2A
SCHEMBL10495486 0.69 KMT2A (0.70) KMT2A
SCHEMBL11423116 0.69 P4HTM (0.50) RXRARXRBRXRGMRGPRX4KMO
SCHEMBL28988552 0.68 XDH (0.56) XDHKMT2A
Hydrochloric Acid SCHEMBL7968706 0.68 XDH (0.49) XDHKMOKMT2A
SCHEMBL27680966 0.68 XDH (0.46) XDHKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 TTR 2239/4885RBP4 557/4885XDH 3098/4885

“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.