SCHEMBL7219286

SCHEMBL7219286

CC(C)(C)CCNC(=O)c1ccc(C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.61
EPHX2 P34913 3/20 0.59
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SIGMAR1 Q99720 2/20 0.53
TMEM97 Q5BJF2 1/20 0.53
RAB9A P51151 2/20 0.51
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
CD274 Q9NZQ7 1/20 0.49
GFER P55789 1/20 0.48
PPARA Q07869 1/20 0.48
NAMPT P43490 2/20 0.48
NPC1 O15118 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP2J2 P51589 1/20 0.46

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
SCHEMBL17865780 0.87 MLYCD (0.77) MLYCDRAB9ANAMPTNPC1
SCHEMBL16963685 0.84 EPHX2 (0.56) MLYCDEPHX2MEN1KMT2ASIGMAR1
SCHEMBL22099907 0.84 EPHX2 (0.62) MLYCDEPHX2MEN1KMT2ASIGMAR1
SCHEMBL13579006 0.82 EPHX2 (0.54) EPHX2MEN1KMT2ASIGMAR1TMEM97
SCHEMBL6359493 0.82 KMT2A (0.59) EPHX2MEN1KMT2ASIGMAR1TMEM97
SCHEMBL3639181 0.82 MLYCD (0.58) MLYCDRAB9ANAMPTNPC1
SCHEMBL5536198 0.82 NAMPT (0.64) EPHX2MEN1KMT2ASIGMAR1TMEM97
SCHEMBL10077315 0.81 MEN1 (0.57) EPHX2MEN1KMT2ASIGMAR1TMEM97
SCHEMBL2430368 0.80 EPHX2 (0.57) EPHX2MEN1KMT2ASIGMAR1TMEM97
SCHEMBL20707157 0.80 NAMPT (0.67) EPHX2MEN1KMT2ASIGMAR1TMEM97

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-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 US disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 US disclosed
US-6624309-B1 Administering 4-heterocyclicbenzamide derivative BRISTOL-MYERS SQUIBB COMPANY 2003-09-23 US disclosed
US-20020137968-A1 Benzoic acid derivatives and related compounds as antiarrhythmic agents LLOYD JOHN (US) 2002-09-26 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 (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-11034648-B2 Cystobactamide derivatives CTH, CBS, SLC7A11 MLYCD 301/4885EPHX2 3440/4885MEN1 2023/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 MLYCD 283/4885EPHX2 3569/4885MEN1 2097/4885
US-20020137968-A1 Benzoic acid derivatives and related compounds as antiarrhythmic agents SCN1A, SCN1B, NR0B1 MLYCD 2637/4885EPHX2 2150/4885MEN1 2374/4885

“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.