SCHEMBL14699587

SCHEMBL14699587

[N-]=[N+]=NC(=O)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.46
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MPO P05164 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2A6 P11509 1/20 0.41
LMNA P02545 3/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
LTA4H P09960 1/20 0.39
HPGD P15428 2/20 0.38
PLOD2 O00469 1/20 0.38
PLOD3 O60568 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL28766354 0.84 GABRA1 (0.35) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL13979698 0.79 NAPRT (0.46) NAPRTALDH1A1MEN1KMT2ACYP1A2
Benzene SCHEMBL27863753 0.78 CES1 (0.44) NAPRTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL13449660 0.78 CES1 (0.44) NAPRTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL13605887 0.77 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL31077641 0.77 KDM5C (0.45) ALDH1A1KDM4E
SCHEMBL29530928 0.77 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6KDM4E
Hydrochloric Acid SCHEMBL27818043 0.77 CES1 (0.42) NAPRTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL16612045 0.75 PARP10 (0.43) ALDH1A1KMT2ACYP3A4CYP2C19LMNA
SCHEMBL28827436 0.75 CES2 (0.48) MEN1KMT2ALTA4HHPGDPLOD2

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
CN-104334556-B Novel sphingosine 1-phosphate receptor antagonists 爱若优生物科技有限公司 2017-05-17 CN disclosed
US-8877935-B2 One-pot process for the synthesis of dalfampridine PROCOS S.P.A. (IT) 2014-11-04 US disclosed
US-8877935-B2 One-pot process for the synthesis of dalfampridine PROCOS S.P.A. (IT) 2014-11-04 US disclosed
EP-2394994-B1 One-pot process for the synthesis of dalfampridine PROCOS SPA (IT) 2013-02-13 EP disclosed
US-20110319628-A1 ONE-POT PROCESS FOR THE SYNTHESIS OF DALFAMPRIDINE PROCOS S.P.A. (IT) 2011-12-29 US disclosed
EP-2394994-A1 One-pot process for the synthesis of dalfampridine Procos S.p.A. (IT) 2011-12-14 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-20110319628-A1 ONE-POT PROCESS FOR THE SYNTHESIS OF DALFAMPRIDINE PFAS, FIP1L1, QDPR NAPRT 732/4885ALDH1A1 792/4885MEN1 475/4885

“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.