SCHEMBL5442000

SCHEMBL5442000

Cc1cc(=O)n(CCC#N)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.56
MAPT P10636 7/20 0.56
HTT P42858 3/20 0.54
THRB P10828 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 5/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 7/20 0.34
MEN1 O00255 4/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALPL P05186 2/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
ENPP3 O14638 1/20 0.33
XIAP P98170 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL6005236 0.79 L3MBTL1 (0.54) KDM4EMAPTHTTTHRBL3MBTL1
SCHEMBL11143613 0.79 KDM4E (0.56) KDM4EMAPTHTTTHRBL3MBTL1
SCHEMBL11751479 0.77 L3MBTL1 (0.56) KDM4EMAPTHTTL3MBTL1ALDH1A1
SCHEMBL11784359 0.75 KDM4E (0.56) KDM4EMAPTHTTTHRBALDH1A1
SCHEMBL11782104 0.75 KDM4E (0.47) KDM4EMAPTHTTTHRBALDH1A1
SCHEMBL11783214 0.73 KDM4E (0.48) KDM4EMAPTHTTTHRBALDH1A1
SCHEMBL383463 0.73 L3MBTL1 (0.59) KDM4EMAPTHTTTHRBL3MBTL1
SCHEMBL11404236 0.72 L3MBTL1 (0.82) KDM4EMAPTL3MBTL1KMT2AMEN1
SCHEMBL11784456 0.71 KDM4E (0.46) KDM4EMAPTHTTTHRBALDH1A1
SCHEMBL9697614 0.71 KMT2A (0.57) KDM4EMAPTHTTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US claimed
US-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US disclosed
US-7204857-B1 Dyeing method using a specific active methylene compound and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL S.A. (FR) 2007-04-17 US disclosed
US-20050262647-A1 Agent for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-12-01 US disclosed
EP-1056433-B1 DYEING METHOD USING A SPECIFIC ACTIVE METHYLENE COMPOUND AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE OREAL (FR) 2005-05-11 EP disclosed
US-4556707-A DYEING CELLULOSE FIBERS AND POLYAMIDE FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 US disclosed
US-4540776-A Reactive fluorotriazinylaminonaphthotriazolyphenylazopyridone or pyrimidone dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-09-10 US disclosed
US-4500715-A CHEMICAL INTERMEDIATES FOR PLANT SAFENING AGENTS AND DYES BAYER AKTIENGESELLSCHAFT (DE) 1985-02-19 US disclosed
EP-0120255-A1 Reactive dyes BAYER AG (DE) 1984-10-03 EP disclosed
EP-0088930-A2 Triazole-triazinyl azo dyes BAYER AG (DE) 1983-09-21 EP disclosed
EP-0013879-B1 REACTIVE DYESTUFFS, THEIR PREPARATION AND THEIR USE FOR DYEING MATERIALS CONTAINING HYDROXYL OR AMIDE GROUPS BAYER AG (DE) 1982-09-15 EP disclosed
US-4268438-A Cationic 1,3,4-thiadiazole dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 US disclosed
US-4246410-A BENZINDOLE DYES OF YELLOW AND RED CIBA -GEIGY AKTIENGESELLSCHAFT (CH) 1981-01-20 US disclosed
EP-0013879-A1 Reactive dyestuffs, their preparation and their use for dyeing materials containing hydroxyl or amide groups BAYER AG (DE) 1980-08-06 EP disclosed
US-4189427-A Azo dyestuffs from benzene diazo component fused to an aliphatic ring and containing two cyano substituents ortho to the azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US disclosed
US-4097475-A FOR POLYESTERS AND BLENDS WITH CELLULOSE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-06-27 US disclosed
US-4083844-A Phenylazo orthocyano phenylazo or orthocyano phenylazo phenylazo containing dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1978-04-11 US disclosed
US-3988310-A FIBER-REACTIVE DYES; CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-10-26 US disclosed
US-3971741-A DISPERSION PIGMENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3966703-A Asymmetrical frisazo dyestuffs derived from diazotized 2,7-diamino-carbazole BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 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-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative KRT18, NDUFB5, NDUFB7 KDM4E 440/4885MAPT 685/4885HTT 3885/4885
US-20050262647-A1 Agent for dyeing fibers containing keratin KRT18, CKAP4, KRTCAP2 KDM4E 1076/4885MAPT 646/4885HTT 1656/4885

“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.