SCHEMBL2997667

SCHEMBL2997667

NNC(=O)c1ccnc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
MPO P05164 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP1A2 P05177 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2A6 P11509 1/20 0.55
CYP2C19 P33261 1/20 0.55
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
BRAF P15056 1/20 0.46
ALDH1A1 P00352 5/20 0.46
FOLH1 Q04609 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
BLM P54132 2/20 0.42
P2RX7 Q99572 2/20 0.42
KDM5A P29375 1/20 0.42
GFER P55789 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL31082091 0.81 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2BRAFFOLH1
SCHEMBL13702396 0.81 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2BRAFFOLH1
SCHEMBL13702293 0.81 TAS1R3 (0.51) KDM4ETAS1R3TAS1R1TAS1R2BRAF
SCHEMBL1417739 0.79 GABRP (0.63) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL7171815 0.79 KDM4E (0.57) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL2635589 0.79 KDM4E (0.57) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL2989555 0.79 CYP1A2 (0.60) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL2996754 0.79 PARP1 (0.48) KDM4ETAS1R3TAS1R1TAS1R2BRAF
SCHEMBL12893313 0.78 L3MBTL1 (0.53) KDM4ETAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL2998198 0.78 KDM4E (0.55) KDM4EMPOCYP3A4CYP1A2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 WO disclosed
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 KDM4E 3169/4885MPO 582/4885CYP3A4 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.