SCHEMBL1086985

SCHEMBL1086985

C(=Cc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.81
NPC1 O15118 9/20 0.81
RAB9A P51151 9/20 0.81
KDM4E B2RXH2 8/20 0.81
MEN1 O00255 7/20 0.81
KMT2A Q03164 7/20 0.81
SMN1; SMN2 Q16637 6/20 0.81
HPGD P15428 5/20 0.81
PKM P14618 4/20 0.81
HSP90AA1 P07900 1/20 0.81
MAPT P10636 6/20 0.71
LMNA P02545 4/20 0.71
GAA P10253 4/20 0.71
HTT P42858 3/20 0.71
GLA P06280 2/20 0.71
NFKB1 P19838 2/20 0.71
NFKB2 Q00653 2/20 0.71
RELA Q04206 2/20 0.71
TP53 P04637 2/20 0.71
RECQL P46063 1/20 0.71

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
SCHEMBL1086983 1.00 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL29539476 1.00 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL31305038 0.92 NPC1 (0.89) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL29660212 0.90 NPC1 (1.00) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL537904 0.90 NPC1 (1.00) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL537905 0.90 NPC1 (1.00) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL28820772 0.88 ALDH1A1 (0.66) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL29881928 0.88 ALDH1A1 (0.66) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL13839209 0.88 ALDH1A1 (0.66) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL6598420 0.87 ALDH1A1 (0.65) ALDH1A1NPC1RAB9AKDM4EMEN1

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 830 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026087745-A1 AN ANTIOXIDANT COMPOSITION COMPRISING A CINNAMIC ACID DERIVATIVE BRAIN Biotech AG (DE) 2026-04-30 WO disclosed
EP-4732825-A1 AN ANTIOXIDANT COMPOSITION COMPRISING A CINNAMIC ACID DERIVATIVE BRAIN Biotech AG (DE) 2026-04-29 EP disclosed
EP-4025675-B1 A PERFUME OIL MIXTURE SYMRISE AG (DE) 2026-03-18 EP disclosed
US-20260071145-A1 DETERGENTS AND CLEANING COMPOSITIONS WITH IMPROVED ANTI-REDEPOSITION PROPERTIES SYMRISE AG (DE) 2026-03-12 US disclosed
US-20260071144-A1 DETERGENTS WITH IMPROVED DYE TRANSFER INHIBITION SYMRISE AG (DE) 2026-03-12 US disclosed
US-12534685-B2 Fragrance composition SYMRISE AG (DE) 2026-01-27 US disclosed
EP-4655366-A1 A FRAGRANCE COMPOSITION Symrise AG (DE) 2025-12-03 EP disclosed
US-20250326984-A1 FRAGRANCES WITH CYCLOPROPYL STRUCTURE SYMRISE AG (DE) 2025-10-23 US disclosed
US-12421474-B2 Perfume oil mixture SYMRISE AG (DE) 2025-09-23 US disclosed
US-20250283018-A1 TOILET RIM BLOCKS WITH SCENT CHANGE SYMRISE AG (DE) 2025-09-11 US disclosed
US-4436653-A NONIONIC SURFACTANTS, AMINE OXIDES THE PROCTER & GAMBLE COMPANY (US) 1984-03-13 US disclosed
EP-0068520-A2 Built liquid detergent compositions containing ternary active systems THE PROCTER & GAMBLE COMPANY (US) 1983-01-05 EP disclosed
US-4284532-A ALIPHATIC ALCOHOL ETHOXYLATE, ALIPHATIC AMINE OXIDE, CITRATE, PYROPHOSPHATE, PHOSPHATE ESTER, WATER THE PROCTER & GAMBLE COMPANY (US) 1981-08-18 US disclosed
EP-0028038-A1 Isotropic liquid detergent compositions containing multicomponent active system THE PROCTER & GAMBLE COMPANY (US) 1981-05-06 EP disclosed
US-4264465-A CONTAINING SILICONE OILS DISSOLVED IN A SOLVENT CIBA-GEIGY CORPORATION (US) 1981-04-28 US disclosed
US-4247424-A WATER IN OIL EMULSIONS INCLUDING A HYDROPHOBIC EMULSIFIER, NONIONIC SURFACTANT, AMINE OXIDE, AND A SOAP BUILDER; FOR USE IN COLD WATER THE PROCTER & GAMBLE COMPANY (US) 1981-01-27 US disclosed
US-4140641-A NONIONIC SURFACTANT, IMIDAZOLINIUM QUATERNARY COMPOUND COLGATE-PALMOLIVE COMPANY (US) 1979-02-20 US disclosed
US-3992145-A BATCH EXHAUST PROCESS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-11-16 US disclosed
US-3962116-A COMPOSITIONS OF OPTICAL BRIGHTNESS AND ALUMINOSILICATES AND METHODS OF THEIR PRODUCTION HENKEL & CIE G.M.B.H. (DT) 1976-06-08 US disclosed
US-3954643-A SULFONATE SURFACTANT, FATTY ACID SOAP, BUILDER HENKEL & CIE GMBH (DT) 1976-05-04 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 (4 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-20260071144-A1 DETERGENTS WITH IMPROVED DYE TRANSFER INHIBITION HSD17B1, HSDL2, HSD17B3 ALDH1A1 347/4885NPC1 1305/4885RAB9A 4854/4885
US-12534685-B2 Fragrance composition NCLN, HCN2, TRPA1 ALDH1A1 1363/4885NPC1 1237/4885RAB9A 4726/4885
US-20250326984-A1 FRAGRANCES WITH CYCLOPROPYL STRUCTURE CBR3, CNR1, CBR1 ALDH1A1 418/4885NPC1 1353/4885RAB9A 4359/4885
US-20260071145-A1 DETERGENTS AND CLEANING COMPOSITIONS WITH IMPROVED ANTI-REDEPOSITION PROPERTIES CYP51A1, HSD17B1, HSD3B1 ALDH1A1 159/4885NPC1 3584/4885RAB9A 4785/4885

“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.