Sugi Predict

Sugi Predict / Compounds / SCHEMBL4265703

SCHEMBL4265703

SCHEMBL4265703

CN(C)C(=O)[C@H]1CCCC(N(NC(=S)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ GAA P10253 2/20 0.40
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 10/20 0.38
▸ KMT2A Q03164 10/20 0.38
▸ MAPT P10636 6/20 0.38
▸ UBE2M P61081 1/20 0.34
▸ DCUN1D1 Q96GG9 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ P2RX1 P51575 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL4267987 0.82 RHOA (0.35) HTTALDH1A1NPSR1SMN1; SMN2MEN1
SCHEMBL4265700 0.79 KMT2A (0.40) HTTALDH1A1NPSR1GAALMNA
SCHEMBL4261370 0.78 REN (0.31) LMNAKMT2A
SCHEMBL4265707 0.77 VNN1 (0.30) —
SCHEMBL4260523 0.77 L3MBTL1 (0.41) ALDH1A1NPSR1SMN1; SMN2MAPTNPC1
SCHEMBL4955316 0.70 KCNQ3 (0.36) —
SCHEMBL715127 0.69 L3MBTL1 (0.43) ALDH1A1NPSR1GAASMN1; SMN2NPC1
SCHEMBL368516 0.69 L3MBTL1 (0.43) ALDH1A1NPSR1GAASMN1; SMN2NPC1
SCHEMBL4261592 0.69 F10 (0.43) MEN1KMT2ANPC1POLB
SCHEMBL4270376 0.68 POLB (0.43) HTTALDH1A1NPSR1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 — — US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 — — US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 — — 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-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 HTT 3634/4885ALDH1A1 3430/4885NPSR1 27/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 HTT 3171/4885ALDH1A1 3454/4885NPSR1 19/4885

“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.