SCHEMBL2458987

SCHEMBL2458987

CC(C)NC(=O)CNC(=O)c1cc(N2CCN3CCCCC3C2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
CCR2 P41597 7/20 0.39
IP6K1 Q92551 1/20 0.38
HTR6 P50406 3/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.37
CTSK P43235 1/20 0.36
CTSC P53634 1/20 0.36
SOS1 Q07889 1/20 0.36

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
SCHEMBL2490194 0.97 HDAC4 (0.42) HDAC4HDAC1CCR2IP6K1HTR6
SCHEMBL2462397 0.88 IP6K1 (0.43) HDAC4CCR2IP6K1
SCHEMBL2456132 0.81 HDAC4 (0.42) HDAC4HDAC1IP6K1HTR6POLB
SCHEMBL2459038 0.81 AVPR1B (0.43) CCR2
SCHEMBL2458700 0.81 SIRT6 (0.46) HDAC1IP6K1HTR6
SCHEMBL2462381 0.81 CCR2 (0.41) CCR2IP6K1
SCHEMBL2461879 0.80 IP6K1 (0.44) HDAC4CCR2IP6K1
SCHEMBL2459768 0.80 MAPT (0.41) HDAC1CCR2IP6K1
SCHEMBL2463515 0.80 MAPT (0.41) HDAC1CCR2IP6K1
SCHEMBL2459776 0.80 MAPT (0.41) HDAC1CCR2IP6K1

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
EP-2069315-B1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES ORGANON NV (NL) 2011-09-07 EP disclosed
US-7820649-B2 Quinazolinone and isoquinolinone acetamide derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 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-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES NQO2, GATD3, SDHA HDAC4 278/4885HDAC1 179/4885CCR2 3951/4885

“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.