Sugi Predict

Sugi Predict / Compounds / SCHEMBL431576

SCHEMBL431576

SCHEMBL431576

C#Cc1ccc(I)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.34
▸ GAK O14976 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ FBP1 P09467 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ AR P10275 2/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ PMP22 Q01453 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PDE2A O00408 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
SCHEMBL30360640 0.81 CA2 (0.48) EGFRGAKCYP1A2ALDH1A1FBP1
SCHEMBL168783 0.81 CA2 (0.48) EGFRGAKCYP1A2ALDH1A1FBP1
SCHEMBL6072170 0.80 AR (0.51) GAKALDH1A1AR
SCHEMBL16957176 0.80 GRM4 (0.34) CYP1A2GRM4ARHTR1AHTR2A
SCHEMBL17685351 0.80 CYP3A4 (0.38) CYP1A2GRM4ALDH1A1ARHTR1A
SCHEMBL31273968 0.78 AR (0.44) EGFRGAKCYP1A2ALDH1A1FBP1
SCHEMBL5974207 0.76 MAOB (0.55) EGFRALDH1A1TSHRLMNA
SCHEMBL17729353 0.76 ALDH1A1 (0.55) ALDH1A1MAPTARCYP3A4TSHR
SCHEMBL2766837 0.76 ACACB (0.43) CYP1A2ALDH1A1MAPTCYP3A4TSHR
SCHEMBL12436312 0.76 AMY1A (0.37) EGFRALDH1A1FBP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575150-B2 Triazole derivatives for treatment of Alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2013-11-05 — — US disclosed
US-8575150-B2 Triazole derivatives for treatment of Alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2013-11-05 — — US disclosed
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2012-01-26 — — US disclosed
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2012-01-26 — — US disclosed
EP-2378879-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2011-10-26 — — EP disclosed
WO-2010071741-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-06-24 — — WO disclosed
WO-2010071741-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-06-24 — — WO 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 (1 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-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MAPT, BACE1, APP EGFR 2765/4885GAK 1615/4885CYP1A2 217/4885

“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.