SCHEMBL2396892

SCHEMBL2396892

COCCOCCOCCOCCOCCOCCOCCOCCN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
CACNA1H O95180 1/20 0.35
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESRRG P62508 2/20 0.32
ESRRB O95718 1/20 0.32
CYP19A1 P11511 1/20 0.32
POLB P06746 2/20 0.31
TP53 P04637 2/20 0.31
NR1H4 Q96RI1 3/20 0.31
HSP90AA1 P07900 2/20 0.31

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
SCHEMBL2401867 1.00 NOTUM (0.38) NOTUMCACNA1HMAPTSMN1; SMN2ESRRG
SCHEMBL2397806 1.00 NOTUM (0.38) NOTUMCACNA1HMAPTSMN1; SMN2ESRRG
SCHEMBL2401807 0.90 MEN1 (0.35) NOTUMMAPTSMN1; SMN2POLBTP53
SCHEMBL2398360 0.90 NOTUM (0.45) NOTUMMAPTSMN1; SMN2POLB
SCHEMBL2400290 0.90 NOTUM (0.45) NOTUMMAPTSMN1; SMN2POLB
SCHEMBL2396008 0.88 LPAR1 (0.38) NOTUMMAPTSMN1; SMN2POLBTP53
SCHEMBL2216720 0.88 LPAR1 (0.38) NOTUMMAPTSMN1; SMN2POLBTP53
SCHEMBL2401845 0.87 NOTUM (0.36) NOTUMMAPTESRRGESRRBCYP19A1
SCHEMBL2400496 0.86 HSP90AA1 (0.39) NOTUMESRRGESRRBCYP19A1NR1H4
SCHEMBL2214597 0.85 NR1H4 (0.39) NOTUMMAPTSMN1; SMN2POLBTP53

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-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US claimed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US disclosed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 NOTUM 3691/4885CACNA1H 3126/4885MAPT 4877/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 NOTUM 3951/4885CACNA1H 2885/4885MAPT 4644/4885

“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.