SCHEMBL1239426

SCHEMBL1239426

COCCN(C)Cc1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ PYCR1 P32322 6/20 0.57
▸ MAOB P27338 1/20 0.51
▸ LTA4H P09960 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ TMEM97 Q5BJF2 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GLA P06280 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ BRAF P15056 1/20 0.40
▸ LSS P48449 1/20 0.39

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
SCHEMBL12474 0.83 PYCR1 (0.50) KDM4EALDH1A1PYCR1MAOBLTA4H
SCHEMBL3151763 0.81 LTA4H (0.47) KDM4EALDH1A1PYCR1MAOBLTA4H
SCHEMBL16549287 0.81 MEN1 (0.52) KDM4EPYCR1LTA4HTSHRTMEM97
SCHEMBL615516 0.81 TSHR (0.65) ALDH1A1MAOBLTA4HTSHRSIGMAR1
SCHEMBL15128047 0.80 PYCR1 (0.67) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL12449593 0.79 SIGMAR1 (0.47) KDM4EALDH1A1PYCR1LTA4HTSHR
SCHEMBL26012094 0.79 LTA4H (0.45) ALDH1A1MAOBLTA4HTSHRSMN1; SMN2
SCHEMBL3620117 0.79 KDM4E (0.56) KDM4EALDH1A1PYCR1
SCHEMBL29109904 0.79 LTA4H (0.45) KDM4EALDH1A1PYCR1MAOBLTA4H
SCHEMBL1241978 0.79 KDM4E (0.70) KDM4EALDH1A1PYCR1MAOBTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 — — US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 — — US disclosed
EP-2151447-A1 LINCOMYCIN DERIVATIVES AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-02-10 — — EP disclosed
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 (3 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 KDM4E 333/4885ALDH1A1 3513/4885PYCR1 1649/4885
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT LAS1L, LCLAT1, LYPLA1 KDM4E 3818/4885ALDH1A1 3224/4885PYCR1 258/4885
US-20100029754-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 NFKBIA, RELA, IKBKE KDM4E 333/4885ALDH1A1 3513/4885PYCR1 1649/4885

“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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