SCHEMBL3584601

SCHEMBL3584601

NC(=Nc1cc(Cl)ccc1Cl)c1ccc(Br)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
SIGMAR1 Q99720 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
GAA P10253 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3584875 0.74 CES2 (0.39) MAPTSMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL11883551 0.71 HTR3E (0.57) SIGMAR1CYP3A4CYP2C19ITGB3ITGAV
SCHEMBL9711095 0.69 SIGMAR1 (0.44) MAPTRAB9ASIGMAR1CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL3418772 0.69 SIGMAR1 (0.50) RAB9ASIGMAR1MEN1KMT2ACYP3A4
SCHEMBL24641151 0.68 CES2 (0.50) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL5120775 0.68 CES2 (0.50) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3584597 0.66 MEN1 (0.45) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL11879382 0.65 HTR3E (0.47) CYP2C19ITGB3ITGAVALDH1A1
Hydrochloric Acid SCHEMBL3247783 0.63 ALDH1A1 (0.44) MAPTSIGMAR1CYP2C19ITGB3ITGAV
Nitric Acid SCHEMBL7813154 0.63 HTR3E (0.46) MAPTRAB9ASIGMAR1CYP2C19ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US disclosed
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 EP disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US disclosed
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 US disclosed
EP-1910308-A1 IMIDAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002563-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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 (2 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-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1H4 MAPT 3684/4885SMN1; SMN2 4301/4885NPC1 39/4885
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 MAPT 4348/4885SMN1; SMN2 4702/4885NPC1 98/4885

“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.