Sugi Predict

Sugi Predict / Compounds / SCHEMBL4387705

SCHEMBL4387705

SCHEMBL4387705

C=CCSc1nccnc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 7/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TP53 P04637 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
SCHEMBL6809108 0.76 CYP1A2 (0.50) SMN1; SMN2CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL13990839 0.71 CYP1A2 (0.49) SMN1; SMN2CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL26695059 0.70 CYP1A2 (0.38) SMN1; SMN2CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL13990721 0.69 CYP1A2 (0.45) SMN1; SMN2CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL6809103 0.69 CYP1A2 (0.45) SMN1; SMN2CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL9027635 0.67 L3MBTL1 (0.47) SMN1; SMN2CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL7524895 0.66 CYP1A2 (0.45) SMN1; SMN2CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL692444 0.66 L3MBTL1 (0.58) NPSR1ALDH1A1L3MBTL1HPGDMEN1
SCHEMBL16297352 0.65 TP53 (0.46) SMN1; SMN2CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL10715332 0.65 L3MBTL1 (0.51) SMN1; SMN2CYP1A2CYP3A4CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090196838-A1 Arthropod Repellent Pharmacophore Models, Compounds Identified as Fitting the Pharmacophore Models, and Methods of Making and Using Thereof U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2009-08-06 — — US claimed
US-7498331-B2 Arthropod repellent pharmacophore models, compounds identified as fitting the pharmacophore models, and methods of making and using thereof UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2009-03-03 — — US claimed
EP-1689229-A1 ARTHROPOD REPELLENT PHARMACOPHORE MODELS, COMPOUNDS IDENTIFIED AS FITTING THE PHARMACOPHORE MODELS, AND METHODS OF MAKING AND USING THEREOF United States Army Medical Research and Materiel Command (US) 2006-08-16 — — EP claimed
WO-2005046329-A1 ARTHROPOD REPELLENT PHARMACOPHORE MODELS, COMPOUNDS IDENTIFIED AS FITTING THE PHARMACOPHORE MODELS, AND METHODS OF MAKING AND USING THEREOF UNITED STATES MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2005-05-26 — — WO claimed
US-20050100575-A1 Arthropod repellent pharmacophore models, compounds identified as fitting the pharmacophore models, and methods of making and using thereof ARMY, UNITED STATES 2005-05-12 — — US claimed
US-20090196838-A1 Arthropod Repellent Pharmacophore Models, Compounds Identified as Fitting the Pharmacophore Models, and Methods of Making and Using Thereof U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2009-08-06 — — US disclosed
US-20090196838-A1 Arthropod Repellent Pharmacophore Models, Compounds Identified as Fitting the Pharmacophore Models, and Methods of Making and Using Thereof U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2009-08-06 — — US disclosed
US-20090196838-A1 Arthropod Repellent Pharmacophore Models, Compounds Identified as Fitting the Pharmacophore Models, and Methods of Making and Using Thereof U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2009-08-06 — — US disclosed
US-7498331-B2 Arthropod repellent pharmacophore models, compounds identified as fitting the pharmacophore models, and methods of making and using thereof UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2009-03-03 — — US disclosed
EP-1689229-A1 ARTHROPOD REPELLENT PHARMACOPHORE MODELS, COMPOUNDS IDENTIFIED AS FITTING THE PHARMACOPHORE MODELS, AND METHODS OF MAKING AND USING THEREOF United States Army Medical Research and Materiel Command (US) 2006-08-16 — — EP disclosed
WO-2005046329-A1 ARTHROPOD REPELLENT PHARMACOPHORE MODELS, COMPOUNDS IDENTIFIED AS FITTING THE PHARMACOPHORE MODELS, AND METHODS OF MAKING AND USING THEREOF UNITED STATES MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2005-05-26 — — WO disclosed
US-20050100575-A1 Arthropod repellent pharmacophore models, compounds identified as fitting the pharmacophore models, and methods of making and using thereof ARMY, UNITED STATES 2005-05-12 — — 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-20050100575-A1 Arthropod repellent pharmacophore models, compounds identified as fitting the pharmacophore models, and methods of making and using thereof TYR, ABCG2, CHIA SMN1; SMN2 4057/4885CYP1A2 138/4885CYP3A4 86/4885
US-20090196838-A1 Arthropod Repellent Pharmacophore Models, Compounds Identified as Fitting the Pharmacophore Models, and Methods of Making and Using Thereof TYR, ABCG2, CHIA SMN1; SMN2 4057/4885CYP1A2 138/4885CYP3A4 86/4885

“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.