SCHEMBL5598852

SCHEMBL5598852

O=C(C=Cc1cccnc1)C=Cc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 1.00
RAB9A P51151 3/20 1.00
KDM4E B2RXH2 2/20 1.00
JUN P05412 2/20 1.00
NFKB1 P19838 2/20 1.00
NPC1 O15118 2/20 1.00
MAPK1 P28482 1/20 1.00
GPR55 Q9Y2T6 1/20 1.00
PFKFB3 Q16875 1/20 0.67
KMT2A Q03164 1/20 0.63
CYP1A2 P05177 8/20 0.59
CYP1A1 P04798 7/20 0.59
CYP1B1 Q16678 7/20 0.59
APAF1 O14727 1/20 0.59
POLB P06746 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP11B1 P15538 1/20 0.59
CYP11B2 P19099 1/20 0.59
USP2 O75604 1/20 0.58

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
SCHEMBL5598850 1.00 MAPT (1.00) MAPTRAB9AKDM4EJUNNFKB1
Hydrochloric Acid SCHEMBL11971085 0.98 MAPT (0.96) MAPTRAB9AKDM4EJUNNFKB1
Hydrochloric Acid SCHEMBL11971079 0.98 MAPT (0.96) MAPTRAB9AKDM4EJUNNFKB1
SCHEMBL16093039 0.94 MAPT (0.89) MAPTRAB9AKDM4EJUNNFKB1
SCHEMBL28356916 0.90 MAPT (0.81) MAPTRAB9AKDM4EJUNNFKB1
SCHEMBL29416684 0.86 RAB9A (0.76) MAPTRAB9AKDM4EJUNNFKB1
SCHEMBL755249 0.86 RAB9A (0.76) MAPTRAB9AKDM4EJUNNFKB1
SCHEMBL334614 0.86 RAB9A (0.76) MAPTRAB9AKDM4EJUNNFKB1
SCHEMBL334615 0.86 RAB9A (0.76) MAPTRAB9AKDM4EJUNNFKB1
SCHEMBL9751014 0.85 RAB9A (0.73) MAPTRAB9AKDM4EJUNNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039734-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC UNM (US) 2016-02-11 US disclosed
US-9187397-B2 Therapeutic curcumin derivatives STC.UNM (US) 2015-11-17 US disclosed
US-9174960-B2 Compounds useful against kinetoplastideae parasites CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-11-03 US disclosed
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC.UNM 2015-01-08 US disclosed
US-8841326-B2 Therapeutic curcumin derivatives STC.UNM (US) 2014-09-23 US disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 US disclosed
US-20060276536-A1 Cancer treatment using curcumin derivatives STC.UNM 2006-12-07 US disclosed
US-5011847-A 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO., INC. (US) 1991-04-30 US disclosed
EP-0402156-A1 New 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO. INC. (US) 1990-12-12 EP 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 (5 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-20160039734-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 MAPT 448/4885RAB9A 2062/4885KDM4E 3658/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 MAPT 448/4885RAB9A 2062/4885KDM4E 3658/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 MAPT 448/4885RAB9A 2062/4885KDM4E 3658/4885
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES TST, PDXK, TBCB MAPT 4863/4885RAB9A 2226/4885KDM4E 854/4885
US-20060276536-A1 Cancer treatment using curcumin derivatives BRCA1, VHL, TP53 MAPT 2066/4885RAB9A 2661/4885KDM4E 2055/4885

“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.