SCHEMBL1702126

SCHEMBL1702126

Cc1ccnc(Nc2ccc3cccc([N+](=O)[O-])c3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
PDE10A Q9Y233 1/20 0.49
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
NPC1 O15118 3/20 0.47
POLB P06746 3/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RELA Q04206 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
KARS1 Q15046 3/20 0.46
MAPT P10636 3/20 0.45
P4HB P07237 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
NFKBIA P25963 1/20 0.43
AGTR1 P30556 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL22134946 0.82 KMT2A (0.60) ALDH1A1HPGDPDE10AKMT2AMEN1
SCHEMBL1705318 0.82 ALDH1A1 (0.54) ALDH1A1HPGDKMT2AMEN1NPC1
SCHEMBL1702521 0.80 KARS1 (0.50) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL1702193 0.78 KARS1 (0.54) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL1706284 0.78 KARS1 (0.48) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL1702151 0.78 KARS1 (0.48) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL1702275 0.78 MDM2 (0.48) KMT2AMEN1NPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL13518353 0.77 MDM2 (0.47) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL4942989 0.77 ALDH1A1 (0.61) ALDH1A1HPGDKMT2AMEN1NPC1
SCHEMBL1702471 0.76 NPC1 (0.48) PDE10AKMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440546-B1 COMPOUNDS USEFUL FOR TREATING PREMATURE AGING AND IN PARTICULAR PROGERIA ABIVAX (FR) 2022-12-28 EP claimed
EP-2440547-B1 New chemical molecules that inhibit the splicing mechanism for the treatment of diseases resulting from splicing defects ABIVAX (FR) 2022-11-30 EP claimed
EP-2440545-B1 COMPOUNDS USEFUL FOR TREATING CANCER ABIVAX (FR) 2019-04-24 EP claimed
US-9908869-B2 Compounds useful for treating aids ABIVAX (FR) 2018-03-06 US claimed
US-9827237-B2 Compounds useful for treating diseases caused by retroviruses ABIVAX (FR) 2017-11-28 US claimed
US-20160151348-A1 COMPOUNDS USEFUL FOR TREATING DISEASES CAUSED BY RETROVIRUSES ABIVAX (FR) 2016-06-02 US claimed
EP-3016656-A1 BICYCLIC COMPOUNDS USEFUL FOR TREATING DISEASES CAUSED BY RETROVIRUSES ABIVAX (FR) 2016-05-11 EP claimed
US-9108919-B2 Compounds useful for treating cancer ABIVAX (FR) 2015-08-18 US claimed
WO-2015001518-A1 BICYCLIC COMPOUNDS USEFUL FOR TREATING DISEASES CAUSED BY RETROVIRUSES SPLICOS (FR) 2015-01-08 WO claimed
US-20140288120-A1 COMPOUNDS USEFUL FOR TREATING AIDS SOCIETE SPLICOS (FR) 2014-09-25 US claimed
US-20120277230-A1 COMPOUNDS USEFUL FOR TREATING CANCER SOCIETE SPLICOS (FR) 2012-11-01 US claimed
CN-102625804-A Compounds for the treatment of AIDS SPLICOS SOC 2012-08-01 CN claimed
CN-102596935-A Compounds for the treatment of premature aging and especially premature aging SPLICOS SOC 2012-07-18 CN claimed
CN-102574835-A Compounds for the treatment of cancer SPLICOS SOC 2012-07-11 CN claimed
EP-2440546-A2 COMPOUNDS USEFUL FOR TREATING PREMATURE AGING AND IN PARTICULAR PROGERIA Société Splicos (FR) 2012-04-18 EP claimed
EP-2440545-A2 COMPOUNDS USEFUL FOR TREATING CANCER Société Splicos (FR) 2012-04-18 EP claimed
EP-2440547-A2 COMPOUNDS USEFUL FOR TREATING AIDS Société Splicos (FR) 2012-04-18 EP claimed
WO-2010143169-A2 COMPOUNDS USEFUL FOR TREATING AIDS SOCIÉTÉ SPLICOS (FR) 2010-12-16 WO claimed
WO-2010143168-A2 COMPOUNDS USEFUL FOR TREATING CANCER SOCIÉTÉ SPLICOS (FR) 2010-12-16 WO claimed
WO-2010143170-A2 COMPOUNDS USEFUL FOR TREATING PREMATURE AGING AND IN PARTICULAR PROGERIA SOCIÉTÉ SPLICOS (FR) 2010-12-16 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20140288120-A1 COMPOUNDS USEFUL FOR TREATING AIDS NR1H3, NR3C1, NR3C2 ALDH1A1 1139/4885HPGD 1627/4885PDE10A 3381/4885
US-20120277230-A1 COMPOUNDS USEFUL FOR TREATING CANCER CBR1, CBR3, NCOR1 ALDH1A1 1416/4885HPGD 984/4885PDE10A 4570/4885
US-20160151348-A1 COMPOUNDS USEFUL FOR TREATING DISEASES CAUSED BY RETROVIRUSES RCOR1, CBR1, RCOR3 ALDH1A1 3191/4885HPGD 2607/4885PDE10A 4667/4885

“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.