SCHEMBL5750687

SCHEMBL5750687

O=C(O)c1cc([N+](=O)[O-])cc2c1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ CYP3A4 P08684 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPY1R P25929 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CTSV O60911 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ CA1 P00915 1/20 0.38

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
SCHEMBL19255040 0.98 KMT2A (0.48) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL11729721 0.97 KMT2A (0.46) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL7677787 0.86 SMN1; SMN2 (0.45) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL4265834 0.82 MEN1 (0.45) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL9471345 0.78 MAPT (0.40) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL8298958 0.77 KMT2A (0.41) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL30503600 0.76 GPR35 (0.44) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL2594851 0.76 GPR35 (0.44) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL9177580 0.76 MAPT (0.41) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL6986834 0.75 NLRP3 (0.44) KMT2AMEN1SMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 — — US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 — — US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 — — EP disclosed
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 — — US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 — — EP disclosed
US-6403601-B1 TREATMENT OF ASTHMA, ANXIETY, DEPRESSION, EMESIS, URINARY INCONTINENCE AND RELATED CONDITIONS. ASTRAZENECA AB (SE) 2002-06-11 — — US disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 — — WO disclosed
EP-1137637-A1 N-(2-PHENYL-4-PIPERIDINYLBUTYL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDES AND THEIR USE AS NEUROKININ 1 (NK1) AND/OR NEUROKININ 2 (NK2) RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-10-04 — — EP disclosed
WO-2000034243-A1 N-(2-PHENYL-4-PIPERIDINYBUTYL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDES AND THEIR USE AS NEUROKININ 1 (NK1) AND/OR NEUROKININ 2 (NK2) RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-06-15 — — WO disclosed
US-4011326-A 2-Substituted oxazolo[4,5-b]pyridine anti-inflammatory agents MERCK & CO., INC. (US) 1977-03-08 — — 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 (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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP KMT2A 404/4885MEN1 2847/4885SMN1; SMN2 4771/4885
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 KMT2A 2350/4885MEN1 4556/4885SMN1; SMN2 4321/4885

“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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