SCHEMBL5598762

SCHEMBL5598762

O=C(C=Cc1ccncc1)C=Cc1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 2/20 1.00
NFKB1 P19838 2/20 1.00
CYP1A2 P05177 6/20 0.60
MAPT P10636 4/20 0.60
F3 P13726 3/20 0.60
CYP2D6 P10635 3/20 0.60
ALDH1A1 P00352 3/20 0.60
CYP2C9 P11712 2/20 0.60
PLIN1 O60240 1/20 0.60
LMNA P02545 1/20 0.60
RECQL P46063 1/20 0.60
PLIN5 Q00G26 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ABHD5 Q8WTS1 1/20 0.60
KDM4E B2RXH2 2/20 0.59
NPC1 O15118 1/20 0.59
MAPK1 P28482 1/20 0.59
RAB9A P51151 1/20 0.59
GPR55 Q9Y2T6 1/20 0.59
HSD11B1 P28845 2/20 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
SCHEMBL5598760 1.00 JUN (1.00) JUNNFKB1CYP1A2MAPTF3
Hydrochloric Acid SCHEMBL11970816 0.98 JUN (0.95) JUNNFKB1CYP1A2MAPTF3
Hydrochloric Acid SCHEMBL11970821 0.98 JUN (0.95) JUNNFKB1CYP1A2MAPTF3
SCHEMBL11999793 0.92 JUN (0.84) JUNNFKB1CYP1A2MAPTF3
Hydrochloric Acid SCHEMBL1490919 0.90 JUN (0.81) JUNNFKB1CYP1A2MAPTF3
SCHEMBL28574308 0.90 NFKB1 (0.81) JUNNFKB1CYP1A2MAPTF3
Hydrochloric Acid SCHEMBL1490918 0.90 JUN (0.81) JUNNFKB1CYP1A2MAPTF3
SCHEMBL7181746 0.87 JUN (0.77) JUNNFKB1CYP1A2MAPTF3
SCHEMBL7181745 0.87 JUN (0.77) JUNNFKB1CYP1A2MAPTF3
SCHEMBL333511 0.84 NFKB1 (0.72) JUNNFKB1CYP1A2MAPTCYP2D6

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 14 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
EP-1420009-A2 Novel amino acid derivatives with improved multi-drug resistance activity Vertex Pharmaceuticals Incorporated (US) 2004-05-19 EP disclosed
EP-0797567-B1 NOVEL AMINO ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY VERTEX PHARMA (US) 2004-02-11 EP disclosed
US-6284778-B1 NEUROTROPHIC AGENT VERTEX PHARMACEUTICALS INCORPORATED 2001-09-04 US disclosed
US-6172086-B1 TREATING PARKINSON*S DISEASE, ALZHIEMER*S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, MULTIPLE SCLEROSIS AND OTHER NERVOUS SYSTEM DISORDERS VERTEX PHARMACEUTICALS INCORPORATED 2001-01-09 US disclosed
US-5840736-A PEPTIDES FOR NERVE GROWTH VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-11-24 US disclosed
US-5543423-A USED IN MULTI-DRUG RESISTANCE CANCER THERAPY VERTEX PHARMACEUTICALS, INCORPORATED (US) 1996-08-06 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 (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 JUN 2204/4885NFKB1 418/4885CYP1A2 2544/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 JUN 2204/4885NFKB1 418/4885CYP1A2 2544/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 JUN 2204/4885NFKB1 418/4885CYP1A2 2544/4885
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES TST, PDXK, TBCB JUN 2650/4885NFKB1 4083/4885CYP1A2 1796/4885
US-20060276536-A1 Cancer treatment using curcumin derivatives BRCA1, VHL, TP53 JUN 786/4885NFKB1 73/4885CYP1A2 760/4885

“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.