SCHEMBL2989476

SCHEMBL2989476

CC(C)Cc1cc(C(=O)NN)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 2/20 0.47
MPO P05164 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FDPS P14324 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL16536084 0.84 POLB (0.46) KDM4ECYP3A4CYP1A2POLBLMNA
SCHEMBL2989555 0.82 CYP1A2 (0.60) KDM4ECYP3A4CYP1A2MPOADORA3
SCHEMBL1425290 0.82 KDM5B (0.50) KDM4EALDH1A1MAPTKDM5AKDM5C
SCHEMBL3961941 0.81 KDM4E (0.53) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL2998832 0.79 KDM4E (0.64) KDM4ECYP3A4CYP1A2MPOADORA3
SCHEMBL16535298 0.78 CYP1A2 (0.68) KDM4ECYP3A4CYP1A2POLBLMNA
SCHEMBL30007857 0.78 KDM4E (0.50) KDM4ECYP3A4CYP1A2MPOADORA3
SCHEMBL4000772 0.78 KDM4E (0.50) KDM4ECYP3A4CYP1A2MPOADORA3
SCHEMBL2996936 0.77 KDM5B (0.50) KDM4ECYP3A4CYP1A2MPOADORA3
SCHEMBL4106854 0.77 TRPA1 (0.49) KDM4ECYP3A4CYP1A2ADORA3CYP2C19

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 KDM4E 3169/4885CYP3A4 488/4885CYP1A2 385/4885

“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.