SCHEMBL2701740

SCHEMBL2701740

O=C(Nc1cc(Cl)cc(Cl)c1)c1[c]cccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
RAB9A P51151 4/20 0.51
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
P2RX1 P51575 1/20 0.46
P2RX4 Q99571 1/20 0.46
P2RX7 Q99572 1/20 0.46
TMPRSS4 Q9NRS4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EGFR P00533 1/20 0.44
NPC1 O15118 2/20 0.44
NPY5R Q15761 1/20 0.44
DHODH Q02127 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL7583871 0.85 NPC1 (0.51) MEN1KMT2ARAB9AMAPTNPSR1
SCHEMBL483177 0.81 RAB9A (0.49) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL7578806 0.79 CYP1A2 (0.57) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL27499232 0.77 LMNA (0.53) MEN1KMT2ARAB9AMAPTKDM4E
SCHEMBL7578629 0.75 RAB9A (0.54) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL11410940 0.75 NPC1 (0.57) MEN1KMT2ARAB9AMAPTKDM4E
SCHEMBL28177898 0.74 TMPRSS4 (0.53) FADS1MEN1KMT2ARAB9AMAPT
SCHEMBL6667710 0.74 RAB9A (0.74) FADS1MEN1KMT2ARAB9AMAPT
SCHEMBL15655870 0.73 RARG (0.59) MEN1KMT2AALDH1A1
SCHEMBL28142622 0.72 RAB9A (0.60) MEN1KMT2ARAB9AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012058378-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES L.C. (US) 2012-05-03 WO disclosed
US-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES, L.C. 2012-05-03 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-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES PYGL, GYS2, GLS2 FADS1 885/4885MEN1 4455/4885KMT2A 3654/4885

“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.