SCHEMBL1425910

SCHEMBL1425910

O=[N+]([O-])c1ncnc(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 12/20 0.36
KDM4E B2RXH2 1/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
MITF O75030 1/20 0.32
ALPL P05186 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
APEX1 P27695 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL1193558 0.84 MAPT (0.33) KDM4EHTTSMN1; SMN2LMNAMITF
SCHEMBL8101643 0.74 MAPT (0.38) KDM4EHTTSMN1; SMN2LMNAMITF
SCHEMBL24238615 0.74 ALDH1A1 (0.44) PIN1KDM4EHTTSMN1; SMN2LMNA
SCHEMBL1426637 0.74 ALDH1A1 (0.37) PIN1KDM4EHTTSMN1; SMN2LMNA
SCHEMBL8110679 0.69 TDP1 (0.36) SMN1; SMN2POLBTSHR
SCHEMBL32909 0.69
SCHEMBL27833684 0.69 NPC1 (0.45) KDM4EHTTLMNAPOLBMAPT
SCHEMBL1675588 0.68 LMNA (0.35) PIN1KDM4EHTTSMN1; SMN2LMNA
SCHEMBL1703418 0.68 TXNRD1 (0.39) PIN1KDM4EHTTSMN1; SMN2LMNA
SCHEMBL28330607 0.67 ALDH1A1 (0.57) KDM4ESMN1; SMN2LMNAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680267-B2 Process for producing amide or lactam DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-25 US disclosed
US-20110092699-A1 PROCESS FOR PRODUCING AMIDE OR LACTAM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2011-04-21 US disclosed
CN-102026968-A Process for producing amide or lactam DAICEL CHEM 2011-04-20 CN disclosed
EP-2301918-A1 PROCESS FOR PRODUCING AMIDE OR LACTAM Daicel Chemical Industries, Ltd. (JP) 2011-03-30 EP disclosed
US-20100029931-A1 METHOD FOR PRODUCING LACTAM COMPOUND SHIBAMOTO AKIHIRO 2010-02-04 US disclosed
CN-101547896-A Method for producing lactam compound DAICEL CHEM (JP) 2009-09-30 CN disclosed
EP-2006283-A9 PROCESS FOR PRODUCTION OF AMIDES OR LACTAMS Daicel Chemical Industries, Ltd. (JP) 2009-07-15 EP disclosed
US-20090093628-A1 Process for Production of Amides or Lactams DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-09 US disclosed
EP-2006283-A2 PROCESS FOR PRODUCTION OF AMIDES OR LACTAMS Mainichi Intecio. (JP) 2008-12-24 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 (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-20100029931-A1 METHOD FOR PRODUCING LACTAM COMPOUND COASY, OXA1L, SPOUT1 PIN1 1260/4885KDM4E 592/4885HTT 4642/4885
US-20090093628-A1 Process for Production of Amides or Lactams AFF1, ADH1C, ADH1A PIN1 2689/4885KDM4E 1900/4885HTT 4843/4885
US-20110092699-A1 PROCESS FOR PRODUCING AMIDE OR LACTAM COASY, SULT1A1, SULT2A1 PIN1 1232/4885KDM4E 2814/4885HTT 4674/4885

“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.