SCHEMBL1591908

SCHEMBL1591908

C=CCN(CC=C)c1ccc2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 3/20 0.52
▸ PTK2 Q05397 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.40
▸ LMNA P02545 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ PKM P14618 2/20 0.40
▸ CYP1A2 P05177 3/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ NOS2 P35228 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ MAPT P10636 4/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.36

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
SCHEMBL20789917 0.76 BACE1 (0.46) BACE1
SCHEMBL4268344 0.76 NCF1 (0.62) NCF1PTK2LMNACYP1A2HIF1A
SCHEMBL169490 0.75 ALDH1A1 (0.47) KDM4ELMNAHIF1AMAPTSMN1; SMN2
SCHEMBL13701721 0.74 NCF1 (0.60) NCF1PTK2LMNARAB9ANPC1
SCHEMBL10706825 0.73 MAPT (0.50) KDM4ELMNAHIF1AMAPTSMN1; SMN2
SCHEMBL27944767 0.73 PTK2 (0.60) NCF1PTK2KDM4ELMNARAB9A
SCHEMBL28565830 0.72 TLR8 (0.37) KDM4ERAB9ANPC1PKMCYP1A2
SCHEMBL8520461 0.72 RAB9A (0.55) KDM4ELMNARAB9ANPC1PKM
SCHEMBL12014904 0.72 NCF1 (0.68) NCF1PTK2KDM4ELMNARAB9A
SCHEMBL25488411 0.71 NCF1 (0.56) NCF1PTK2KDM4ELMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4420308-A Process for the production of reserve effects on polyester textiles and polyester/cellulose mixed fibre textiles: discharge printing with disperse azo dye with alkyl or alkoxy carbonyl, cyand and hydroxy phenyl group CASSELLA AKTIENGESELLSCHAFT (DE) 1983-12-13 — — US claimed
US-20160093413-A1 ELECTROCONDUCTIVE COMPOSITION, ELECTRICAL CONDUCTOR, LAMINATE AND METHOD FOR PRODUCING SAME, ELECTROCONDUCTIVE FILM, AND SOLID ELECTROLYTE CONDENSER MITSUBISHI RAYON CO., LTD. (JP) 2016-03-31 — — US disclosed
US-20110092488-A1 Quninoline Methanol Compounds for the Treatment and Prevention of Parasitic Infections DOW GEOFFREY 2011-04-21 — — US disclosed
US-4420308-A Process for the production of reserve effects on polyester textiles and polyester/cellulose mixed fibre textiles: discharge printing with disperse azo dye with alkyl or alkoxy carbonyl, cyand and hydroxy phenyl group CASSELLA AKTIENGESELLSCHAFT (DE) 1983-12-13 — — 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-20110092488-A1 Quninoline Methanol Compounds for the Treatment and Prevention of Parasitic Infections MTX1, MTX2, NQO2 NCF1 2699/4885PTK2 1387/4885KDM4E 1259/4885

“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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