SCHEMBL13775166

SCHEMBL13775166

CCc1ccc(NC(=O)C(C)NC(=O)C(C)NC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ KMT2A Q03164 5/20 0.48
▸ ATM Q13315 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ SRC P12931 1/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ XIAP P98170 1/20 0.45
▸ BIRC2 Q13490 1/20 0.45
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43

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
SCHEMBL21350543 0.94 CRHBP (0.55) CRHBPCRHR2KMT2AATMMEN1
SCHEMBL15099992 0.87 SMN1; SMN2 (0.48) CRHBPCRHR2KMT2AATMMEN1
SCHEMBL25603436 0.83 RAB9A (0.46) CRHBPCRHR2KMT2AMEN1RAB9A
SCHEMBL25602956 0.82 SMN1; SMN2 (0.47) CRHBPCRHR2KMT2AMEN1RAB9A
SCHEMBL27068058 0.82 SMN1; SMN2 (0.47) CRHBPCRHR2KMT2AMEN1RAB9A
SCHEMBL22064637 0.80 SMN1; SMN2 (0.47) CRHBPCRHR2KMT2AATMMEN1
SCHEMBL24086454 0.80 MAPT (0.60) CRHBPCRHR2KMT2AMEN1RAB9A
SCHEMBL21533085 0.80 PLG (0.51) RAB9ASMN1; SMN2NPC1XIAPBIRC2
SCHEMBL22593900 0.80 MAPT (0.60) CRHBPCRHR2KMT2AMEN1RAB9A
SCHEMBL14435680 0.80 XIAP (0.48) CRHBPCRHR2KMT2AMEN1RAB9A

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-20090181039-A1 CONJUGATES WITH REDUCED ADVERSE SYSTEMIC EFFECTS BRISTOL-MYERS SQUIBB COMPANY 2009-07-16 — — 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-20090181039-A1 CONJUGATES WITH REDUCED ADVERSE SYSTEMIC EFFECTS EPCAM, FCGR2A, CD47 CRHBP 2796/4885CRHR2 3748/4885KMT2A 1999/4885

“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.

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