SCHEMBL2987972

SCHEMBL2987972

O=C(NN=CCc1ccccc1)c1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
GAA P10253 3/20 0.59
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
USP2 O75604 1/20 0.57
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TDP1 Q9NUW8 4/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 2/20 0.52

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
SCHEMBL11302626 0.89 ALDH1A1 (0.55) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL17541218 0.89 ALDH1A1 (0.55) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL2993484 0.86 SMN1; SMN2 (0.61) MAPTGAAALDH1A1SMN1; SMN2USP2
SCHEMBL2993486 0.86 SMN1; SMN2 (0.61) MAPTGAAALDH1A1SMN1; SMN2USP2
SCHEMBL5809769 0.82 NPC1 (0.61) MAPTSMN1; SMN2USP2RAB9ANPC1
SCHEMBL5809224 0.80 NPC1 (0.59) MAPTUSP2RAB9ANPC1HTT
SCHEMBL3000252 0.78 L3MBTL1 (0.57) MAPTGAAALDH1A1USP2RAB9A
SCHEMBL3000250 0.78 L3MBTL1 (0.57) MAPTGAAALDH1A1USP2RAB9A
SCHEMBL14938561 0.77 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL6362086 0.77 RAB9A (0.54) ALDH1A1RAB9ANPC1KMT2AMEN1

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 MAPT 2862/4885GAA 3745/4885ALDH1A1 302/4885

“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.