SCHEMBL2072672

SCHEMBL2072672

O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
MEN1 O00255 2/20 0.60
NPC1 O15118 2/20 0.60
MAPK1 P28482 2/20 0.60
RAB9A P51151 2/20 0.60
KMT2A Q03164 2/20 0.60
PDK1 Q15118 2/20 0.60
PDK2 Q15119 2/20 0.60
PDK3 Q15120 2/20 0.60
PDK4 Q16654 2/20 0.60
TRPV1 Q8NER1 1/20 0.59
ALDH1A1 P00352 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 2/20 0.55
AURKA O14965 1/20 0.55
PDPK1 O15530 1/20 0.55
JAK2 O60674 1/20 0.55
GMNN O75496 1/20 0.55
EGFR P00533 1/20 0.55
LMNA P02545 1/20 0.55

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
SCHEMBL10420192 0.89 PDK1 (0.61) MAPTMEN1NPC1MAPK1RAB9A
SCHEMBL1817100 0.88 PDK1 (0.76) MAPTMEN1RAB9AKMT2APDK1
SCHEMBL18784583 0.86 PDK1 (0.57) MAPTMEN1KMT2APDK1PDK2
SCHEMBL4610006 0.86 PDK1 (0.81) PDK1PDK2PDK3PDK4
SCHEMBL6569621 0.86 PDK1 (0.81) PDK1PDK2PDK3PDK4
SCHEMBL6919582 0.85 HTT (0.54) MAPTNPC1RAB9AKMT2APDK1
SCHEMBL6919579 0.82 HTT (0.51) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL23885023 0.82 PDK1 (0.50) MAPTMEN1KMT2APDK1PDK2
SCHEMBL30254740 0.82 PDK1 (0.50) MAPTMEN1KMT2APDK1PDK2
SCHEMBL7073743 0.82 ALDH1A1 (0.58) MAPTMEN1MAPK1KMT2APDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906537-B2 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2011-03-15 US disclosed
US-20060183791-A1 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2006-08-17 US disclosed
EP-1613303-A1 SUBSTITUTED P-DIAMINOBENZENE DERIVATIVES H. Lundbeck A/S (DK) 2006-01-11 EP disclosed
WO-2004082677-A1 SUBSTITUTED P-DIAMINOBENZENE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-30 WO disclosed
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
US-6380243-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES- 6 AND -7, AND KAPOSI HERPESVIRUS. AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US disclosed
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2002-02-28 US disclosed
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-08 US disclosed
EP-0089834-B1 LIGHT-SENSITIVE SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL KONICA CORPORATION (JP) 1987-09-09 EP disclosed
US-4482629-A 1-NAPHTHOL COUPLER TO REACT WEITH OXIDIZED COLOR-FORMING DEVELOPER; ALKALISOLUBLE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1984-11-13 US disclosed
EP-0089834-A2 Light-sensitive silver halide color photographic material KONICA CORPORATION (JP) 1983-09-28 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 (4 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-20060183791-A1 Substituted p-diaminobenzene derivatives ABCB1, UGT2B7, CYP2D6 MAPT 3488/4885MEN1 1715/4885NPC1 1814/4885
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 MAPT 3898/4885MEN1 4810/4885NPC1 1705/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR MAPT 3272/4885MEN1 4755/4885NPC1 797/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 MAPT 4129/4885MEN1 4601/4885NPC1 1212/4885

“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.