SCHEMBL13034077

SCHEMBL13034077

CC(=O)OCCSc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
HTT P42858 2/20 0.53
PKM P14618 1/20 0.53
KDM4E B2RXH2 4/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP2C19 P33261 3/20 0.50
TEAD1 P28347 1/20 0.50
YAP1 P46937 1/20 0.50
TEAD4 Q15561 1/20 0.50
TEAD2 Q15562 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
CYP3A4 P08684 2/20 0.48
ALDH1A1 P00352 3/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL11662106 0.88 HDAC3 (0.54) RAB9AHTTPKMKDM4ECYP1A2
SCHEMBL1710082 0.84 ALDH1A1 (0.49) RAB9AKDM4ECYP1A2CYP2C19SMN1; SMN2
SCHEMBL27858437 0.84 HSP90AA1 (0.45) RAB9AHTTPKMKDM4ECYP1A2
SCHEMBL11843370 0.84 RAB9A (0.55) RAB9AHTTPKMKDM4ECYP1A2
SCHEMBL7524566 0.83 KDM4E (0.49) RAB9AHTTPKMKDM4ECYP1A2
SCHEMBL7111764 0.82 CYP3A4 (0.41) RAB9AHTTPKMKDM4ECYP1A2
Hydrochloric Acid SCHEMBL11843381 0.82 RAB9A (0.54) RAB9AHTTPKMKDM4ECYP1A2
SCHEMBL8896348 0.81 MTNR1A (0.56) RAB9AHTTKDM4ECYP1A2CYP2D6
SCHEMBL16650470 0.81 MTNR1A (0.62) RAB9AKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL24753899 0.79 MTNR1A (0.42) RAB9AHTTKDM4ECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 RAB9A 777/4885HTT 1110/4885PKM 1430/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 RAB9A 777/4885HTT 1110/4885PKM 1430/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 RAB9A 777/4885HTT 1110/4885PKM 1430/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 RAB9A 777/4885HTT 1110/4885PKM 1430/4885

“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.