SCHEMBL3392811

SCHEMBL3392811

NC(=NO)c1ccc(C=O)cn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.38
KDM1A O60341 5/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KCNJ1 P48048 1/20 0.35
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33
KMT2A Q03164 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
MAPK1 P28482 1/20 0.31
PTGS2 P35354 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL29953629 0.79 KMT2A (0.50) P4HTMKDM4EALDH1A1L3MBTL1KCNJ1
SCHEMBL2645451 0.79 KMT2A (0.50) P4HTMKDM4EALDH1A1L3MBTL1KCNJ1
SCHEMBL28108725 0.78 PRMT1 (0.41) P4HTMKDM4EALDH1A1L3MBTL1KCNJ1
SCHEMBL12572561 0.73 MKNK1 (0.39) KDM4EALDH1A1KMT2ARAB9A
SCHEMBL13783338 0.73 KDM1A (0.40) KDM1AKDM4EL3MBTL1KMT2AMAPK1
SCHEMBL14993380 0.73 ADRA2A (0.47) KDM4EL3MBTL1KMT2AMAPK1RAB9A
SCHEMBL17394925 0.73 KDM1A (0.40) KDM1AKDM4EL3MBTL1KMT2AMAPK1
SCHEMBL1483912 0.73 ADRA2A (0.47) KDM4EL3MBTL1KMT2AMAPK1RAB9A
SCHEMBL515603 0.73 P4HTM (0.65) P4HTMKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL7481548 0.73 RRM2 (0.45) P4HTMKDM4EALDH1A1L3MBTL1ABAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234390-A1 NOVEL COMPOUND AND THEIR USE ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-09-16 US claimed

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-20100234390-A1 NOVEL COMPOUND AND THEIR USE HTRA1, PRSS1, PRNP P4HTM 78/4885KDM1A 4373/4885KDM4E 4135/4885

“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.