Sugi Predict

Sugi Predict / Compounds / SCHEMBL8415344

SCHEMBL8415344

SCHEMBL8415344

CCc1c(Cl)cc(OC)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.38
▸ CRHR1 P34998 3/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ SLC6A4 P31645 4/20 0.33
▸ HTR2A P28223 3/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ MAOB P27338 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 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
SCHEMBL16693753 0.86 TAAR1 (0.53) ALDH1A1TAAR1CRHR1CYP1A1CYP1B1
SCHEMBL4524516 0.81 ALDH1A1 (0.46) ALDH1A1TAAR1CRHR1CYP1A1CYP1B1
SCHEMBL13955145 0.79 ALDH1A1 (0.43) ALDH1A1TAAR1CRHR1CYP1A1CYP1B1
SCHEMBL9171904 0.79 ALDH1A1 (0.43) ALDH1A1TAAR1CRHR1CYP1A1CYP1B1
SCHEMBL211976 0.79 ALDH1A1 (0.43) ALDH1A1TAAR1CYP1A1CYP1B1CYP3A4
SCHEMBL9171915 0.79 ALDH1A1 (0.43) ALDH1A1TAAR1CRHR1CYP1A1CYP1B1
SCHEMBL13755151 0.79 NQO1 (0.44) CYP3A4KMT2AKDM4EMAPT
SCHEMBL209096 0.79 ALDH1A1 (0.43) ALDH1A1TAAR1CRHR1CYP1A1CYP1B1
Bromide SCHEMBL25374934 0.77 ALDH1A1 (0.42) ALDH1A1TAAR1CRHR1CYP1A1CYP1B1
Hydrochloric Acid SCHEMBL2301222 0.77 TAAR1 (0.44) ALDH1A1TAAR1HTR2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2010-06-24 — — US disclosed
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 — — US disclosed
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 — — US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 — — 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 (4 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-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF HTR2C, HTR3B, HTR1A ALDH1A1 2034/4885TAAR1 115/4885CRHR1 162/4885
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF HTR1A, HTR2C, CHRM1 ALDH1A1 2512/4885TAAR1 69/4885CRHR1 44/4885
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A ALDH1A1 814/4885TAAR1 72/4885CRHR1 116/4885
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R ALDH1A1 1164/4885TAAR1 186/4885CRHR1 92/4885

“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.