SCHEMBL21130271

SCHEMBL21130271

CCC(C)(C)c1nc2cc(Cl)c(C)cc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
ALDH1A1 P00352 2/20 0.37
PTGES O14684 7/20 0.36
CXCR4 P61073 1/20 0.32
CMKLR1 Q99788 1/20 0.32
F2RL3 Q96RI0 3/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL21130281 0.84 LMNA (0.64) LMNAALDH1A1PTGESF2RL3KMT2A
SCHEMBL21130354 0.78 LMNA (0.56) LMNAALDH1A1PTGESF2RL3KMT2A
SCHEMBL21654403 0.77 MEN1 (0.52) LMNAALDH1A1F2RL3KMT2AMEN1
SCHEMBL2493716 0.73 L3MBTL1 (0.43) LMNAALDH1A1PTGESF2RL3KMT2A
SCHEMBL21130273 0.72 LMNA (0.65) LMNAALDH1A1KDM4EMAPTALOX15
SCHEMBL6010846 0.70 LMNA (0.38) LMNAALDH1A1PTGESF2RL3KMT2A
SCHEMBL7900050 0.70 ALDH1A1 (0.46) LMNAALDH1A1PTGESKMT2AMEN1
SCHEMBL12677385 0.69 RAB9A (0.47) LMNAALDH1A1KMT2AMEN1KDM4E
SCHEMBL13515308 0.69 NPC1 (0.48) LMNAALDH1A1F2RL3KMT2AMEN1
SCHEMBL8221220 0.69 F2RL3 (0.42) F2RL3KDM4ENPC1RAB9A

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-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 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-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 LMNA 1548/4885ALDH1A1 3333/4885PTGES 436/4885

“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.