SCHEMBL2998613

SCHEMBL2998613

O=C(NNCc1ccc(F)cc1)c1ccncc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.72
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPK14 Q16539 1/20 0.55
NAMPT P43490 2/20 0.52
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PTGS2 P35354 1/20 0.50
LTA4H P09960 1/20 0.50
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
ESRRG P62508 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL1569192 0.84 L3MBTL1 (1.00) L3MBTL1CYP3A4MAPK14NAMPTLMNA
SCHEMBL2995747 0.84 CA1 (0.67) ALDH1A1CYP3A4MAPK14HDAC3HDAC1
SCHEMBL2998249 0.82 ROCK1 (0.52) L3MBTL1ALDH1A1NAMPTHDAC3HDAC1
SCHEMBL9712633 0.81 NPC1 (0.61) ALDH1A1CYP3A4MAPK14NAMPTHDAC3
SCHEMBL2988267 0.76 RAB9A (0.54) L3MBTL1ALDH1A1NAMPTHDAC3HDAC1
Metazide SCHEMBL2109857 0.76 ALDH1A1 (0.72) L3MBTL1ALDH1A1CYP3A4HDAC3HDAC1
SCHEMBL28871809 0.76 ALDH1A1 (0.60) L3MBTL1ALDH1A1CYP3A4NAMPTLMNA
SCHEMBL26099612 0.75 NAMPT (0.81) L3MBTL1ALDH1A1NAMPTNPC1RAB9A
SCHEMBL1240060 0.74 ALDH1A1 (0.51) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL14527350 0.73 HDAC1 (0.62) L3MBTL1ALDH1A1HDAC1SMN1; SMN2PTGS2

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 L3MBTL1 1229/4885ALDH1A1 302/4885CYP3A4 488/4885

“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.