SCHEMBL15094744

SCHEMBL15094744

CC(=O)c1cccc(C(=O)Nc2cccc(-c3nnn[nH]3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 12/20 0.49
▸ POLB P06746 4/20 0.49
▸ MEN1 O00255 10/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ RXFP1 Q9HBX9 2/20 0.48
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ COMT P21964 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ ATM Q13315 1/20 0.46

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
SCHEMBL31680549 0.91 MMP2 (0.54) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL15094666 0.90 RAB9A (0.54) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL21067860 0.88 KMT2A (0.58) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21812212 0.86 MAOA (0.54) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL5168264 0.86 GRK6 (0.49) ALDH1A1MAPT
SCHEMBL6694019 0.84 MAPT (0.59) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL15094758 0.84 RXFP1 (0.48) RXFP1
SCHEMBL9589707 0.84 NPC1 (0.49) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL21812214 0.83 ROCK2 (0.47) KMT2APOLBMEN1ALDH1A1MMP2
SCHEMBL1249670 0.83 NPC1 (0.55) KMT2APOLBMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10604493-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2020-03-31 — — US disclosed
US-20170088524-A1 Compositions, Methods of Use, And Methods of Treatment UNIVERSITY OF SOUTH FLORIDA 2017-03-30 — — US disclosed
US-9556131-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2017-01-31 — — US disclosed
US-20140378516-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA 2014-12-25 — — US disclosed
EP-2800568-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT University Of South Florida (US) 2014-11-12 — — EP disclosed
WO-2013103760-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA (US) 2013-07-11 — — WO 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 (3 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-20140378516-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT LIPA, LCT, GAA KMT2A 1425/4885POLB 256/4885MEN1 2896/4885
US-10604493-B2 Compositions, methods of use, and methods of treatment LIPA, LCT, GAA KMT2A 1425/4885POLB 256/4885MEN1 2896/4885
US-20170088524-A1 Compositions, Methods of Use, And Methods of Treatment LIPA, LCT, GAA KMT2A 1425/4885POLB 256/4885MEN1 2896/4885

“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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