SCHEMBL2245935

SCHEMBL2245935

COC/C(C#N)=C/c1ccccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ LMNA P02545 3/20 0.56
▸ PKM P14618 1/20 0.56
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ PLIN1 O60240 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PLIN5 Q00G26 1/20 0.46
▸ ABHD5 Q8WTS1 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ NFE2L2 Q16236 4/20 0.43
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42

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
SCHEMBL1668552 1.00 KMT2A (0.56) KMT2AKDM4ELMNAPKMMAPT
SCHEMBL1532464 0.78 KDM4E (0.64) KMT2AKDM4ELMNAPKMMAPT
SCHEMBL5529864 0.77 KDM4E (0.42) KMT2AKDM4ELMNAPKMMAPT
SCHEMBL1494297 0.77 KDM4E (0.42) KMT2AKDM4ELMNAPKMMAPT
SCHEMBL1494299 0.77 KDM4E (0.42) KMT2AKDM4ELMNAPKMMAPT
SCHEMBL1493955 0.77 MCL1 (0.46) KMT2AKDM4ELMNAPKMMAPT
SCHEMBL10489971 0.75 CYP1A2 (0.58) KDM4EPKMMAPTPOLBALDH1A1
SCHEMBL11617422 0.75 CYP1A2 (0.58) KDM4EPKMMAPTPOLBALDH1A1
SCHEMBL10489966 0.75 CYP1A2 (0.58) KDM4EPKMMAPTPOLBALDH1A1
SCHEMBL13485325 0.74 KMT2A (0.59) KMT2AKDM4ELMNAPKMMAPT

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-20150183770-A1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2015-07-02 — — US disclosed
US-8921406-B2 5-ring heteroaromatic compounds and their use as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2014-12-30 — — US disclosed
US-20110207788-A1 5-Ring Heteroaromatic compounds and their use as binding partners for 5-ht5 receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-08-25 — — 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 (2 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-20150183770-A1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR3A, HTR6 KMT2A 4010/4885KDM4E 3731/4885LMNA 3754/4885
US-20110207788-A1 5-Ring Heteroaromatic compounds and their use as binding partners for 5-ht5 receptors HTR5A, HTR3A, HTR6 KMT2A 4010/4885KDM4E 3731/4885LMNA 3754/4885

“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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