Sugi Predict

Sugi Predict / Compounds / SCHEMBL2401807

SCHEMBL2401807

SCHEMBL2401807

CC(C)(C)c1ccc(CN(CCOCCOCCOCCOCCOCCOCc2ccccc2)C(=O)c2ncn(-c3cc(Cl)c(O)c(Cl)c3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NR1H4 Q96RI1 3/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ RAF1 P04049 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32
▸ NR4A1 P22736 1/20 0.32
▸ NR4A2 P43354 1/20 0.32
▸ NR4A3 Q92570 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 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
SCHEMBL2397806 0.90 NOTUM (0.38) NR1H4NOTUMMAPTSMN1; SMN2POLB
SCHEMBL2396892 0.90 NOTUM (0.38) NR1H4NOTUMMAPTSMN1; SMN2POLB
SCHEMBL2401867 0.90 NOTUM (0.38) NR1H4NOTUMMAPTSMN1; SMN2POLB
SCHEMBL2214597 0.89 NR1H4 (0.39) MEN1KMT2ARAB9ANR1H4NOTUM
SCHEMBL2401845 0.84 NOTUM (0.36) NR1H4NOTUMMAPTPOLBTP53
SCHEMBL2400496 0.84 HSP90AA1 (0.39) NR1H4NOTUM
SCHEMBL2216720 0.83 LPAR1 (0.38) NOTUMMAPTSMN1; SMN2POLBTP53
SCHEMBL2396008 0.83 LPAR1 (0.38) NOTUMMAPTSMN1; SMN2POLBTP53
SCHEMBL2400293 0.82 MAPT (0.38) NOTUMMAPTSMN1; SMN2POLBTP53
SCHEMBL2397852 0.81 NOTUM (0.36) NR1H4NOTUMMAPTPOLBTP53

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 MEN1 2895/4885KMT2A 4715/4885RAB9A 2192/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 MEN1 2606/4885KMT2A 4709/4885RAB9A 2348/4885

“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.