SCHEMBL2999914

SCHEMBL2999914

NNC=CC(=O)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HTT P42858 1/20 0.53
CYP1A2 P05177 8/20 0.52
CYP2D6 P10635 8/20 0.52
KDM4E B2RXH2 1/20 0.52
MPO P05164 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2A6 P11509 1/20 0.52
CYP2C19 P33261 1/20 0.52
PFKFB3 Q16875 2/20 0.47
CYP1A1 P04798 7/20 0.45
CYP1B1 Q16678 7/20 0.45
GPR52 Q9Y2T5 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44

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
SCHEMBL2999911 1.00 ALDH1A1 (0.55) ALDH1A1HTTCYP1A2CYP2D6KDM4E
SCHEMBL6997673 0.81 HTT (0.67) ALDH1A1HTTCYP1A2CYP2D6PFKFB3
SCHEMBL6997670 0.81 HTT (0.67) ALDH1A1HTTCYP1A2CYP2D6PFKFB3
SCHEMBL14305656 0.81 HTT (0.58) ALDH1A1HTTCYP1A2CYP2D6PFKFB3
SCHEMBL14313397 0.77 HTT (0.53) ALDH1A1HTTCYP1A2CYP2D6PFKFB3
SCHEMBL14305657 0.77 HTT (0.53) ALDH1A1HTTCYP1A2CYP2D6KDM4E
SCHEMBL14313402 0.77 HTT (0.53) ALDH1A1HTTCYP1A2CYP2D6PFKFB3
SCHEMBL14303900 0.75 NPC1 (0.77) ALDH1A1HTTCYP1A2KDM4ECYP3A4
SCHEMBL14305653 0.74 HTT (0.54) ALDH1A1HTTCYP1A2CYP2D6CYP3A4
SCHEMBL27687985 0.74 HTT (0.63) ALDH1A1HTTCYP1A2CYP2D6PFKFB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS BRIDGE BIORESEARCH RIGHTS (JERSEY) LIMITED (GB) 2010-07-22 US disclosed
EP-2068873-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS Pharma 2100 (DK) 2009-06-17 EP disclosed
WO-2008031440-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS PHARMA 2100 (DK) 2008-03-20 WO 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-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS ODC1, OTC, ACACB ALDH1A1 302/4885HTT 3833/4885CYP1A2 385/4885

“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.