SCHEMBL4358299

SCHEMBL4358299

O=C(OCc1ccccc1)c1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.57
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
PDE1C Q14123 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
CYP19A1 P11511 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
SCHEMBL19511831 0.90 RAB9A (0.57) RAB9AKMT2ALMNAPDE1CPOLB
SCHEMBL19678705 0.88 RAB9A (0.61) RAB9AKMT2ALMNAPDE1CPOLB
SCHEMBL20695012 0.86 RAB9A (0.60) RAB9AKMT2ALMNAPDE1CPOLB
SCHEMBL28323455 0.85 RAB9A (0.59) RAB9AKMT2ALMNAPDE1CPOLB
SCHEMBL11376580 0.85 TDP1 (0.60) RAB9AKMT2ALMNAPDE1CPOLB
SCHEMBL24152238 0.84 LMNA (0.64) RAB9AKMT2ALMNAPDE1CPOLB
SCHEMBL22076399 0.84 RAB9A (0.57) RAB9AKMT2ALMNAPDE1CPOLB
SCHEMBL20581857 0.83 KMT2A (0.58) RAB9AKMT2ALMNAPDE1CPOLB
SCHEMBL20695013 0.83 RAB9A (0.56) RAB9AKMT2ALMNAPDE1CPOLB
SCHEMBL19511793 0.83 TDP1 (0.60) RAB9AKMT2ALMNAPDE1CPOLB

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-20090286862-A1 Therapeutic agent for psychoneurotic disease ONO PHARMACEUTICAL CO., LTD. (JP) 2009-11-19 US disclosed
US-7576129-B2 Carboxylic acid compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-20070167498-A1 Carboxylic acid compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 US disclosed
EP-1787657-A1 THERAPEUTIC AGENT FOR PSYCHONEUROTIC DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-23 EP disclosed
EP-1591441-A1 CARBOXYLIC ACID COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP disclosed
US-5644024-A MIMICS OF PEPTIDE DOMAINS, SEQUENCE DETERMINATION, DRUGS HOFFMANN-LA ROCHE INC. (US) 1997-07-01 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 (2 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-20090286862-A1 Therapeutic agent for psychoneurotic disease PTGER3, PTGER1, PTGES3 RAB9A 3424/4885KMT2A 3660/4885LMNA 1013/4885
US-20070167498-A1 Carboxylic acid compounds PTGER3, CNR2, PTGER2 RAB9A 4354/4885KMT2A 2431/4885LMNA 3424/4885

“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.