SCHEMBL3618020

SCHEMBL3618020

COCCN(Cc1ccc(Br)cc1)CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PYCR1 P32322 7/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ GLA P06280 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ MAPT P10636 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ MCHR1 Q99705 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
SCHEMBL3620117 0.81 KDM4E (0.56) MEN1KMT2AKDM4EALDH1A1PYCR1
SCHEMBL18776435 0.74 PIK3CD (0.33) MEN1KMT2A
SCHEMBL1239426 0.74 KDM4E (0.59) KDM4EALDH1A1PYCR1TDP1GLA
SCHEMBL21962259 0.72 PYCR1 (0.53) MEN1KMT2AKDM4EALDH1A1PYCR1
SCHEMBL2059035 0.71 PYCR1 (0.50) MEN1KMT2AKDM4EALDH1A1PYCR1
SCHEMBL12570492 0.69 MEN1 (0.36) MEN1KMT2A
SCHEMBL3574502 0.69 HDAC1 (0.52) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL14376814 0.69 SLC6A4 (0.48) MEN1KMT2A
SCHEMBL629044 0.68 MAPT (0.55) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL3746659 0.68 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029754-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SW) 2010-02-04 — — US disclosed
US-7572826-B2 Thiophene-carboxamide derivatives and their use as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2009-08-11 — — US disclosed
US-20060058522-A1 Thiophene-carboxamide derivatives and their use as inhibitors of the enzyme ikk-2 ASTRAZENECA AB (SE) 2006-03-16 — — US disclosed
EP-1583755-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZIME IKK-2 AstraZeneca AB (SE) 2005-10-12 — — EP disclosed
WO-2004063186-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZIME IKK-2 ASTRAZENECA AB (SE) 2004-07-29 — — WO 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-20060058522-A1 Thiophene-carboxamide derivatives and their use as inhibitors of the enzyme ikk-2 NFKBIA, RELA, IKBKE MEN1 4599/4885KMT2A 421/4885KDM4E 333/4885
US-20100029754-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 NFKBIA, RELA, IKBKE MEN1 4599/4885KMT2A 421/4885KDM4E 333/4885

“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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