SCHEMBL314749

SCHEMBL314749

O=C(Nc1ccc(C[C]2CCCCC2)cc1)c1sc2ccccc2c1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.71
MAPT P10636 10/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
TP53 P04637 2/20 0.63
RXFP1 Q9HBX9 2/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
THRB P10828 1/20 0.61
ALDH1A1 P00352 4/20 0.60
HPGD P15428 1/20 0.60
PRSS12 P56730 2/20 0.59
F10 P00742 5/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 2/20 0.55
OGG1 O15527 1/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
KMT2A Q03164 1/20 0.54
SAE1 Q9UBE0 1/20 0.54

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
SCHEMBL13148385 0.80 MAPK1 (0.63) MAPK1MAPTSMN1; SMN2TP53RXFP1
SCHEMBL5935569 0.80 MAPT (0.79) MAPTSMN1; SMN2TP53RXFP1NPC1
Hydrochloric Acid SCHEMBL2907990 0.79 MAPK1 (0.62) MAPK1MAPTSMN1; SMN2TP53RXFP1
Iodide SCHEMBL17555183 0.79 MAPK1 (0.62) MAPK1MAPTSMN1; SMN2TP53RXFP1
SCHEMBL23353224 0.78 MAPT (1.00) MAPTSMN1; SMN2TP53RXFP1NPC1
SCHEMBL14315172 0.78 MAPT (1.00) MAPTSMN1; SMN2TP53RXFP1NPC1
SCHEMBL16562249 0.78 MAPT (0.76) MAPTSMN1; SMN2TP53RXFP1NPC1
SCHEMBL29865475 0.78 MAPT (1.00) MAPTSMN1; SMN2TP53RXFP1NPC1
SCHEMBL16562057 0.76 MAPT (0.72) MAPTSMN1; SMN2TP53RXFP1NPC1
SCHEMBL16553870 0.75 MAPT (1.00) MAPK1MAPTSMN1; SMN2TP53RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168829-B2 Synthesis of quaternary salt compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-01 US disclosed
US-8093428-B2 Synthesis of quaternary salt compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-10 US disclosed
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed
US-20090112003-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20090112004-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20060293379-A1 Quaternary salt CCR2 antagonists KENVUE BRANDS LLC 2006-12-28 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 (3 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-20090112003-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS CCR2, CCR1, CCL11 MAPK1 780/4885MAPT 2532/4885SMN1; SMN2 4702/4885
US-20090112004-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS CCR2, CCR1, CCL11 MAPK1 780/4885MAPT 2532/4885SMN1; SMN2 4702/4885
US-20060293379-A1 Quaternary salt CCR2 antagonists CCR2, CCR1, CXCR2 MAPK1 350/4885MAPT 3346/4885SMN1; SMN2 2630/4885

“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.