SCHEMBL14937214

SCHEMBL14937214

[N-]=[N+]=NCCCc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ ADRA2A P08913 3/20 0.47
▸ SLC6A2 P23975 3/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ TACR2 P21452 2/20 0.47
▸ SLC6A4 P31645 2/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SHBG P04278 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HSPD1 P10809 1/20 0.47
▸ ADRB3 P13945 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HSPE1 P61604 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ TST Q16762 1/20 0.47

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
SCHEMBL21084402 0.89 ADRB2 (0.48) ADRB2IGF1RALOX15CA2MIF
SCHEMBL17077962 0.88 ESR1 (0.54) ESR1ESR2ADRA2ASLC6A2ADORA3
SCHEMBL16674489 0.83 ADRB2 (0.49) ESR1ADRA2ASLC6A2ADORA3TACR2
SCHEMBL13608769 0.82 ADRB2 (0.47) ADRB2IGF1RALOX15TAAR1
SCHEMBL25232794 0.80 HTR3E (0.48) ADRB2IGF1RALOX15MIFHTR3A
SCHEMBL14356992 0.80 TAAR1 (0.43) ADRB2TAAR1
SCHEMBL14080940 0.80 ADRB2 (0.43) CYP3A4ADRB2MIFHTR3A
SCHEMBL16212606 0.80 MAOB (0.50) ALDH1A1CYP3A4ADRB2HTR3ATDP1
SCHEMBL16212624 0.80 TAAR1 (0.43) ADRB2HTR3ATAAR1L3MBTL1
SCHEMBL13526333 0.79 HTR3A (0.53) SLC6A3MIFHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123508-A1 NOVEL NONLINEAR CHROMOPHORES ESPECIALLY SUITED FOR USE IN ELECTRO-OPTICAL MODULATION ECOLE NORMALE SUPERIEURE DE LYON (FR) 2013-05-16 — — US disclosed
US-20130123508-A1 NOVEL NONLINEAR CHROMOPHORES ESPECIALLY SUITED FOR USE IN ELECTRO-OPTICAL MODULATION ECOLE NORMALE SUPERIEURE DE LYON (FR) 2013-05-16 — — US disclosed
US-20130123508-A1 NOVEL NONLINEAR CHROMOPHORES ESPECIALLY SUITED FOR USE IN ELECTRO-OPTICAL MODULATION ECOLE NORMALE SUPERIEURE DE LYON (FR) 2013-05-16 — — 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 (1 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-20130123508-A1 NOVEL NONLINEAR CHROMOPHORES ESPECIALLY SUITED FOR USE IN ELECTRO-OPTICAL MODULATION CHRM5, CHRM1, CHRM2 ESR1 989/4885ESR2 657/4885ADRA2A 778/4885

“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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