SCHEMBL2995830

SCHEMBL2995830

O=C1C=CC(Cl)=CC1=CNNC(=O)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.40
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPK1 P28482 1/20 0.38
TYK2 P29597 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MPO P05164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL2995828 1.00 ALDH1A1 (0.46) ALDH1A1TP53SMN1; SMN2GAACA1
SCHEMBL2996969 0.84 ALDH1A1 (0.46) ALDH1A1TP53SMN1; SMN2GAACA1
SCHEMBL2992217 0.84 ALDH1A1 (0.46) ALDH1A1TP53SMN1; SMN2GAACA1
SCHEMBL2988295 0.84 ALDH1A1 (0.46) ALDH1A1TP53GAACA1CA9
SCHEMBL2996972 0.84 ALDH1A1 (0.46) ALDH1A1TP53SMN1; SMN2GAACA1
SCHEMBL2992218 0.84 ALDH1A1 (0.46) ALDH1A1TP53SMN1; SMN2GAACA1
SCHEMBL2988301 0.84 ALDH1A1 (0.46) ALDH1A1TP53GAACA1CA9
SCHEMBL1649834 0.81 ALDH1A1 (0.51) ALDH1A1TP53SMN1; SMN2GAACA1
SCHEMBL2994770 0.81 ALDH1A1 (0.51) ALDH1A1TP53SMN1; SMN2GAACA1
SCHEMBL2994771 0.81 ALDH1A1 (0.51) ALDH1A1TP53SMN1; SMN2GAACA1

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 302/4885TP53 2283/4885SMN1; SMN2 4448/4885

“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.