SCHEMBL4156900

SCHEMBL4156900

O=C(NCc1cccc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
HPGD P15428 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
RAB9A P51151 2/20 0.67
FFAR1 O14842 1/20 0.67
ACKR3 P25106 1/20 0.66
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
GAA P10253 2/20 0.64
ALOX5 P09917 1/20 0.62
PTPN1 P18031 1/20 0.61
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
GLA P06280 1/20 0.59
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.58
NPC1 O15118 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57

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
SCHEMBL1083633 0.91 MEN1 (0.77) ALDH1A1HPGDSMN1; SMN2RAB9AFFAR1
SCHEMBL10160183 0.86 SMN1; SMN2 (0.85) ALDH1A1HPGDSMN1; SMN2RAB9AMEN1
SCHEMBL4582840 0.85 PTPN1 (0.63) ALDH1A1HPGDSMN1; SMN2ACKR3MEN1
SCHEMBL13623008 0.84 ALDH1A1 (0.63) ALDH1A1HPGDSMN1; SMN2FFAR1MEN1
SCHEMBL31546677 0.84 ALDH1A1 (0.63) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL11615300 0.84 RAB9A (0.74) HPGDSMN1; SMN2RAB9AFFAR1MEN1
SCHEMBL6961817 0.84 CA2 (0.68) SMN1; SMN2RAB9AFFAR1MEN1KMT2A
SCHEMBL1024076 0.83 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL1024073 0.83 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL12813280 0.83 MMP13 (0.74) ALDH1A1HPGDSMN1; SMN2RAB9AFFAR1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0373891-B1 Anti-tumour agents ICI PLC (GB) 1994-11-02 EP claimed
EP-0373891-A2 Anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-20 EP claimed
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 WO disclosed
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
CN-1075808-C Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 2001-12-05 CN disclosed
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN disclosed
CN-1310169-A Anils with nitric oxide synzyme inhibiting function SHUGAI SEIYAKU K K (JP) 2001-08-29 CN disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
CN-1172473-A Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-02-04 CN disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed
EP-0667864-B1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY ZENECA LTD (GB) 1997-09-24 EP disclosed
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN disclosed
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed
EP-0373891-B1 Anti-tumour agents ICI PLC (GB) 1994-11-02 EP disclosed
EP-0373891-A2 Anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-20 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 (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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 ALDH1A1 2743/4885HPGD 1700/4885SMN1; SMN2 2335/4885

“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.