SCHEMBL6429888

SCHEMBL6429888

N/C(Cc1ccncc1)=N\O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.44
PLG P00747 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP17A1 P05093 1/20 0.38
GAA P10253 1/20 0.37
HRH1 P35367 2/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL5634783 1.00 LOXL2 (0.44) LOXL2PLGHTTMAPTALDH1A1
SCHEMBL27207826 0.79 LOXL2 (0.48) LOXL2PLGHTTALDH1A1CYP1A2
SCHEMBL100774 0.77 HIF1A (0.57) HTTMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL100775 0.77 HIF1A (0.57) HTTMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL563549 0.77 HIF1A (0.57) HTTMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10716701 0.77 LOXL2 (0.42) LOXL2HTTMAPTALDH1A1CYP1A2
SCHEMBL3524137 0.76 NAPRT (0.55) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5634650 0.76 NAPRT (0.55) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3524143 0.76 NAPRT (0.55) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL838151 0.76 CA2 (0.56) ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS BREYE THERAPEUTICS APS (DK) 2020-02-20 US disclosed
US-6897306-B2 3-heterocyclylpropanohydroxamic acids PFIZER PRODUCTS, INC. (US) 2005-05-24 US disclosed
EP-1240152-B1 OX(ADI)AZOLYL-HYDROXAMIC ACIDS USEFUL AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LTD (GB) 2004-12-08 EP disclosed
US-20030119807-A1 3-Heterocyclylpropanohydroxamic acids BAILEY SIMON (US) 2003-06-26 US disclosed
US-6448278-B2 ANTISCARRING AGENT PFIZER INC. 2002-09-10 US disclosed
US-20010021718-A1 Procollagen C-proteinase inhibitors PFIZER INC. 2001-09-13 US 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-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS P2RY1, P2RX1, P2RX3 LOXL2 2378/4885PLG 4361/4885HTT 835/4885
US-20010021718-A1 Procollagen C-proteinase inhibitors MMP1, CTSL, PREP LOXL2 482/4885PLG 36/4885HTT 3943/4885
US-20030119807-A1 3-Heterocyclylpropanohydroxamic acids CPA1, MMP1, PREP LOXL2 605/4885PLG 25/4885HTT 3152/4885

“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.