SCHEMBL6775236

SCHEMBL6775236

Cc1c(-c2ccccc2)cc([N+](=O)[O-])cc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.54
▸ HPRT1 P00492 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ POLB P06746 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ PTGDR2 Q9Y5Y4 1/20 0.48
▸ TSHR P16473 3/20 0.47
▸ ACHE P22303 2/20 0.46
▸ AR P10275 1/20 0.46
▸ CYP19A1 P11511 2/20 0.45
▸ PTPRC P08575 2/20 0.44
▸ BCHE P06276 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ S100A4 P26447 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ KMT2A Q03164 2/20 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
SCHEMBL27756342 0.85 MYC (0.54) PTGS2HPRT1ALDH1A1TDP1POLB
SCHEMBL20850856 0.83 PTGS2 (0.44) PTGS2HPRT1ALDH1A1LMNATDP1
SCHEMBL629839 0.81 PTGS2 (0.59) PTGS2HPRT1ALDH1A1LMNATDP1
SCHEMBL1457013 0.81 ALDH1A1 (0.50) PTGS2HPRT1ALDH1A1LMNATDP1
SCHEMBL22678460 0.81 ALDH1A1 (0.56) PTGS2HPRT1ALDH1A1LMNATDP1
SCHEMBL2437022 0.81 CRHBP (0.55) PTGS2ALDH1A1LMNATDP1POLB
SCHEMBL3664743 0.81 MYC (0.47) PTGS2ALDH1A1LMNARAB9APTGDR2
SCHEMBL7814293 0.79 PTGS2 (0.49) PTGS2HPRT1ALDH1A1LMNATDP1
SCHEMBL22658164 0.79 MAPT (0.47) PTGS2HPRT1ALDH1A1LMNATDP1
SCHEMBL29408216 0.79 MAPT (0.47) PTGS2HPRT1ALDH1A1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735048-B2 Actinic ray-sensitive or radiation-sensitive resin composition, resist film using the composition and pattern forming method FUJIFILM CORPORATION (JP) 2014-05-27 — — US disclosed
US-8735048-B2 Actinic ray-sensitive or radiation-sensitive resin composition, resist film using the composition and pattern forming method FUJIFILM CORPORATION (JP) 2014-05-27 — — US disclosed
US-20120301817-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM USING THE COMPOSITION AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2012-11-29 — — US disclosed
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 — — US disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 — — 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 PTGS2 2648/4885HPRT1 1340/4885ALDH1A1 1121/4885

“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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