SCHEMBL5239065

SCHEMBL5239065

[CH2]c1ccc(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.58
▸ CRHR2 Q13324 1/20 0.58
▸ TDP1 Q9NUW8 4/20 0.48
▸ POLB P06746 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ABCB1 P08183 6/20 0.47
▸ ABCC1 P33527 4/20 0.47
▸ KCNMA1 Q12791 1/20 0.47
▸ HPRT1 P00492 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAOA P21397 1/20 0.41
▸ THRB P10828 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ MCL1 Q07820 1/20 0.40

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
SCHEMBL1663325 0.82 CRHBP (0.63) CRHBPCRHR2TDP1POLBALDH1A1
SCHEMBL2816974 0.81 CRHBP (0.61) CRHBPCRHR2TDP1POLBALDH1A1
SCHEMBL3276362 0.79 TDP1 (0.66) CRHBPCRHR2TDP1POLBALDH1A1
SCHEMBL30352851 0.79 TDP1 (0.66) CRHBPCRHR2TDP1POLBALDH1A1
SCHEMBL3559913 0.78 CRHBP (0.68) CRHBPCRHR2TDP1POLBALDH1A1
SCHEMBL2601600 0.78 CRHBP (0.58) CRHBPCRHR2TDP1POLBALDH1A1
SCHEMBL15203036 0.78 CRHBP (0.58) CRHBPCRHR2TDP1POLBALDH1A1
SCHEMBL1897629 0.78 CRHBP (0.58) CRHBPCRHR2TDP1POLBALDH1A1
SCHEMBL653911 0.78 TDP1 (0.81) CRHBPCRHR2TDP1POLBALDH1A1
SCHEMBL3184724 0.78 CRHBP (0.58) CRHBPCRHR2TDP1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1305846-C Urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2007-03-21 — — CN claimed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 — — US claimed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 — — US claimed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 — — CN claimed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 — — EP claimed
CN-1305846-C Urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2007-03-21 — — CN disclosed
EP-1507776-B1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC (US) 2007-02-28 — — EP disclosed
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 — — US disclosed
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 — — US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 — — US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 — — US disclosed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 — — CN disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 — — EP disclosed
US-4980096-A Protective coatings; adhesives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-12-25 — — US disclosed
US-4740600-A UNBLOCKING WITH ACTINIC RADIATION; PROTECTIVE COATING; THERMOPLASTIC RESIN MIXTURES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-04-26 — — US disclosed
US-4599273-A PROTECTIVE COATINGS, PRESSURE SENSITIVE ADHESIVES MINNESOTA MINING AND MANUFACTURING CO. (US) 1986-07-08 — — US disclosed
US-4478967-A Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-10-23 — — US disclosed
EP-0046083-A2 Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-02-17 — — EP 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-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use CASP3, BAX, BAD CRHBP 4830/4885CRHR2 4400/4885TDP1 428/4885
US-20020198376-A1 Novel urea derivatives TNF, CTH, CFH CRHBP 833/4885CRHR2 194/4885TDP1 4155/4885

“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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