SCHEMBL2405124

SCHEMBL2405124

O=[N+]([O-])c1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ TNFSF10 P50591 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ XDH P47989 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ CASP3 P42574 1/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ APP P05067 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL9080021 0.89 TNFSF10 (0.45) NPC1RAB9ATNFSF10XBP1HTT
SCHEMBL9871665 0.84 KMT2A (0.56) NPC1RAB9AHTTNPSR1XDH
SCHEMBL29769219 0.81 XDH (0.58) NPC1RAB9ATNFSF10XBP1HTT
SCHEMBL8412982 0.81 NPC1 (0.38) NPC1RAB9AHTTMAPTMEN1
SCHEMBL9871669 0.80 EIF4E (0.43) NPC1RAB9AXBP1HTTNPSR1
SCHEMBL1409329 0.77 NPC1 (0.50) NPC1RAB9ATNFSF10XBP1HTT
SCHEMBL2117163 0.75 NPC1 (0.49) NPC1RAB9ATNFSF10XBP1HTT
SCHEMBL629172 0.75 MAPT (0.53) NPC1RAB9ATNFSF10XBP1HTT
SCHEMBL11166733 0.74 MAPT (0.57) NPC1RAB9ATNFSF10XBP1HTT
SCHEMBL22604036 0.74 MAPK1 (0.62) NPC1RAB9AXBP1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356182-B1 RADIATION CURABLE COATING MATERIALS BASF SE (DE) 2015-05-06 — — EP disclosed
CN-102216400-B Radiation curable coating materials BASF SE 2013-12-18 — — CN disclosed
US-20130299736-A1 RADIATION-CURABLE COATING MATERIALS BASE SE (DE) 2013-11-14 — — US disclosed
US-20110230617-A1 RADIATION-CURABLE COATING MATERIALS BASF SE (DE) 2011-09-22 — — US disclosed
US-20100126386-A1 RADIATION-CURABLE COATING SUBSTANCES BASF AKTIENGESELLSCHAFT (DE) 2010-05-27 — — US disclosed
US-20100016465-A1 Composite Material Comprising A Water-Or Acid-Releasing Agent DENTOFIT A/S (DK) 2010-01-21 — — US disclosed
US-20100016465-A1 Composite Material Comprising A Water-Or Acid-Releasing Agent DENTOFIT A/S (DK) 2010-01-21 — — US disclosed
US-6110987-A CURED PRODUCTS HAVING AN EXCELLENT APPEARANCE WITHOUT COLORING CAUSED BY POLYMERIZATION INITIATOR SHOWA DENKO K.K. (JP) 2000-08-29 — — 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 (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-20100016465-A1 Composite Material Comprising A Water-Or Acid-Releasing Agent PLA2G2C, SMARCA1, VMA21 NPC1 4633/4885RAB9A 1007/4885TNFSF10 2082/4885
US-20110230617-A1 RADIATION-CURABLE COATING MATERIALS RAD51, MGMT, RAD54L NPC1 1213/4885RAB9A 1455/4885TNFSF10 2893/4885

“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.

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