SCHEMBL4479593

SCHEMBL4479593

CCC(=O)Nc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
KAT2B Q92831 1/20 0.51
RECQL P46063 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49

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
SCHEMBL10977960 0.88 RAB9A (0.63) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL29559580 0.87 ALDH1A1 (0.59) MAPTKAT2BNPC1RAB9ASMN1; SMN2
SCHEMBL9365470 0.87 MAPT (0.54) MAPTKAT2BRECQLNPC1RAB9A
SCHEMBL22587352 0.87 ALDH1A1 (0.59) MAPTKAT2BNPC1RAB9ASMN1; SMN2
SCHEMBL18256280 0.84 RAB9A (0.53) MAPTKAT2BNPC1RAB9ASMN1; SMN2
SCHEMBL5705175 0.84 L3MBTL1 (0.67) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL22535975 0.83 CYP3A4 (0.55) MAPTKAT2BSMN1; SMN2KMT2ACYP3A4
SCHEMBL18256216 0.82 NPC1 (0.51) MAPTKAT2BNPC1RAB9ASMN1; SMN2
SCHEMBL9836378 0.81 CYP3A4 (0.53) MAPTKAT2BNPC1RAB9ASMN1; SMN2
SCHEMBL6170373 0.81 KMT2A (0.64) MAPTRECQLNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618997-B2 Diaminofluorescein derivatives SEKISUI MEDICAL CO., LTD. (JP) 2009-11-17 US disclosed
US-20070117211-A1 Diaminofluorescein derivatives DAIICHI PURE CHEMICALS CO., LTD. (JP) 2007-05-24 US disclosed
US-20050130314-A1 Diaminofluorescein derivatives DAIICHI PURE CHEMICALS CO., LTD. (JP) 2005-06-16 US disclosed
US-6833386-B2 Are useful as agents for measurement of nitrogen monoxide. DAIICHI PURE CHEMICALS CO., LTD. (JP) 2004-12-21 US disclosed
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-20030171600-A1 Diaminofluorescein derivatives DAIICHI PURE CHEMICALS CO., LTD. (JP) 2003-09-11 US disclosed
US-6569892-B2 Useful as agent for measurement of nitrogen monoxide, also for measuring intracellular nitrogen monoxide concentration of an individual DAIICHI PURE CHEMICALS CO., LTD. (JP) 2003-05-27 US disclosed
US-20020137225-A1 Diaminofluorescein derivatives DAIICHI PURE CHEMICALS CO., LTD. (JP) 2002-09-26 US disclosed
US-6441197-B1 4-AMINO-5-(N-METHYLAMINO)-2',7'-DIFLUORO-3',6'-DIHYDROXY-SPIRO (ISOBENZOFURAN-1,9'-XANTHEN)-3-ONE; DIRECT, ACCURATE, HIGHLY SENSITIVE INTRACELLULAR FLUORESCENT MEASUREMENT OF NITROGEN MONOXIDE; NONDAMAGING TO TISSUES AND CELLS; LIGHT STABLE DAIICHI PURE CHEMICALS CO., LTD. (JP) 2002-08-27 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 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 (5 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-20050130314-A1 Diaminofluorescein derivatives NOS2, NOS3, NOS1 MAPT 4325/4885KAT2B 1085/4885RECQL 481/4885
US-20020137225-A1 Diaminofluorescein derivatives PRMT1, ARGLU1, DAO MAPT 4354/4885KAT2B 1385/4885RECQL 567/4885
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 MAPT 4372/4885KAT2B 2864/4885RECQL 4132/4885
US-20070117211-A1 Diaminofluorescein derivatives NOS2, NOS3, NOS1 MAPT 4325/4885KAT2B 1085/4885RECQL 481/4885
US-20030171600-A1 Diaminofluorescein derivatives PRMT1, ARGLU1, DAO MAPT 4354/4885KAT2B 1385/4885RECQL 567/4885

“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.