Sugi Predict

Sugi Predict / Compounds / SCHEMBL1104895

SCHEMBL1104895

SCHEMBL1104895

COc1cc(C)c(Br)cc1Cc1cccc(Cl)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.42
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ MPO P05164 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 4/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ EGFR P00533 2/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ GAA P10253 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL12453534 0.90 HTR2A (0.42) METTL3HTR2AHTR2CCNR2MPO
SCHEMBL1104892 0.89 HTR2A (0.46) METTL3HTR2AHTR2CCNR2MPO
SCHEMBL12575442 0.85 MPO (0.40) METTL3CNR2MPOALDH1A1MAPK14
SCHEMBL16380512 0.80 METTL3 (0.48) METTL3LMNAMAPTEGFRGAA
SCHEMBL16482308 0.78 METTL3 (0.50) METTL3KDM4ECYP2C9ALDH1A1HPGD
SCHEMBL1104891 0.77 METTL3 (0.56) METTL3KDM4EGAACYP2C9ALDH1A1
SCHEMBL15453555 0.77 LMNA (0.46) METTL3HTR2ACNR2LMNAMAPT
SCHEMBL13885323 0.76 HTR2A (0.49) HTR2AHTR2CKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4211289 0.76 METTL3 (0.55) METTL3KDM4EGAACYP2C9ALDH1A1
SCHEMBL4207612 0.75 METTL3 (0.50) METTL3LMNAEGFRKDM4EKMT2A

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-20130116437-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-05-09 — — US disclosed
US-8153801-B2 Process and intermediates for preparing integrase inhibitors GILEAD SCIENCES, INC. (US) 2012-04-10 — — US disclosed
US-20100292480-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC (US) 2010-11-18 — — US disclosed
US-7825252-B2 Process and intermediates for preparing integrase inhibitors GILEAD SCIENCES, INC. (US) 2010-11-02 — — US disclosed
US-20090099366-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-04-16 — — 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-20090099366-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB METTL3 2511/4885HTR2A 4438/4885HTR2C 3988/4885
US-20130116437-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB METTL3 2511/4885HTR2A 4438/4885HTR2C 3988/4885
US-20100292480-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB METTL3 2511/4885HTR2A 4438/4885HTR2C 3988/4885

“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.