SCHEMBL4193053

SCHEMBL4193053

C[C@@H](CC1CCCCC1)NCc1ccccc1NC(=O)Nc1ccccc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
KMT2A Q03164 5/20 0.44
F2RL1 P55085 2/20 0.43
KDM4E B2RXH2 7/20 0.43
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 4/20 0.41
SIRT2 Q8IXJ6 2/20 0.41
PKM P14618 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CTSD P07339 1/20 0.39

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
SCHEMBL4196799 0.86 CCR3 (0.50) KMT2AKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL4195095 0.86 KMT2A (0.48) KMT2AF2RL1POLBSMN1; SMN2MEN1
SCHEMBL4197445 0.86 KMT2A (0.48) KMT2AF2RL1POLBSMN1; SMN2MEN1
SCHEMBL4196629 0.86 KMT2A (0.48) KMT2AF2RL1POLBSMN1; SMN2MEN1
Cyclohexane SCHEMBL4193062 0.85 TP53 (0.52) TP53KMT2AKDM4EPOLBSMN1; SMN2
SCHEMBL4192548 0.83 KMT2A (0.47) KMT2AF2RL1KDM4EPOLBSMN1; SMN2
SCHEMBL4196843 0.83 EPHX1 (0.52) KMT2AKDM4EMEN1MAPTRAB9A
SCHEMBL4193564 0.82 HTT (0.56) KMT2APOLBSMN1; SMN2MEN1NPC1
SCHEMBL4195012 0.82 SMN1; SMN2 (0.47) KMT2AKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL4195568 0.82 METAP2 (0.40) KMT2AF2RL1SMN1; SMN2MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP claimed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 US claimed
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP disclosed
US-8076370-B2 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2011-12-13 US disclosed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 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 (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-20090215764-A1 Antimicrobial agents TUFM, RPS17, HARS1 TP53 2324/4885KMT2A 2047/4885F2RL1 4733/4885

“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.