SCHEMBL2986200

SCHEMBL2986200

O=C(NNC(=O)c1ccncc1)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.83
TP53 P04637 1/20 0.68
CA1 P00915 3/20 0.67
CA9 Q16790 3/20 0.67
GAA P10253 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.66
HTT P42858 1/20 0.66
JAK2 O60674 1/20 0.66
TYK2 P29597 1/20 0.66
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
PLOD2 O00469 1/20 0.64
PLOD3 O60568 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
HPGD P15428 1/20 0.64
CYP2C19 P33261 1/20 0.64

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
SCHEMBL2992964 0.91 ALDH1A1 (1.00) ALDH1A1TP53CA1CA9GAA
SCHEMBL14526874 0.88 CTDSP1 (0.75) ALDH1A1CA1CA9GAAJAK2
SCHEMBL400890 0.86 RAB9A (0.77) ALDH1A1CA1CA9GAAMEN1
SCHEMBL2988323 0.84 ALDH1A1 (0.86) ALDH1A1TP53CA1CA9GAA
SCHEMBL250413 0.84 PTGS2 (0.75) ALDH1A1TP53CA1CA9GAA
SCHEMBL13381471 0.84 ALDH1A1 (0.70) ALDH1A1TP53GAAL3MBTL1HTT
SCHEMBL12324391 0.84 RAB9A (0.82) ALDH1A1CA1CA9GAAMEN1
Benzoic Acid Hydrazide SCHEMBL28704484 0.83 CYP1A2 (0.84) ALDH1A1GAAHTTJAK2TYK2
SCHEMBL3000231 0.83 ALDH1A1 (0.83) ALDH1A1TP53CA1CA9GAA
SCHEMBL6504612 0.82 GAA (0.57) ALDH1A1TP53CA1CA9GAA

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
US-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS BRIDGE BIORESEARCH RIGHTS (JERSEY) LIMITED (GB) 2010-07-22 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 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
US-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 US 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 (2 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 2283/4885CA1 2581/4885
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY HMOX1, HMOX2, PPOX ALDH1A1 802/4885TP53 3846/4885CA1 4055/4885

“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.