SCHEMBL12310047

SCHEMBL12310047

C=C(C(=O)Cc1ccc(OC)cc1)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.55
▸ MEN1 O00255 5/20 0.55
▸ TP53 P04637 2/20 0.55
▸ TPH1 P17752 4/20 0.54
▸ MAPT P10636 6/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HAVCR2 Q8TDQ0 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ S1PR1 P21453 1/20 0.50
▸ NR1H4 Q96RI1 1/20 0.50

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
SCHEMBL12259206 0.87 KMT2A (0.61) KMT2AMEN1TP53TPH1MAPT
SCHEMBL3057492 0.80 RAB9A (0.74) KMT2AMEN1TP53MAPTHSD17B10
SCHEMBL3061832 0.77 RAB9A (0.68) KMT2AMEN1TP53MAPTHSD17B10
SCHEMBL19419917 0.77 MAPT (0.73) KMT2AMEN1TP53TPH1MAPT
SCHEMBL17831085 0.77 KMT2A (0.62) KMT2AMEN1TP53TPH1MAPT
SCHEMBL16592451 0.76 HAVCR2 (0.63) KMT2AMEN1TP53MAPTHSD17B10
SCHEMBL1430356 0.74 NR1H4 (0.73) KMT2ATPH1MAPTNPSR1NPC1
SCHEMBL3678380 0.73 MAPT (0.67) KMT2AMEN1TP53TPH1MAPT
SCHEMBL20968279 0.73 MAPT (0.60) KMT2AMEN1TP53TPH1MAPT
SCHEMBL30850803 0.73 NPC1 (0.62) KMT2AMEN1TP53TPH1MAPT

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-20110218155-A1 CHEMICAL MODULATORS OF PRO-APOPTOTIC BAX AND BCL-2 POLYPEPTIDES DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-09-08 — — 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-20110218155-A1 CHEMICAL MODULATORS OF PRO-APOPTOTIC BAX AND BCL-2 POLYPEPTIDES BAX, BCL2, BCL2L1 KMT2A 3136/4885MEN1 3300/4885TP53 61/4885

“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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