SCHEMBL3199535

SCHEMBL3199535

CC(=O)CC(=O)Cc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTPRA P18433 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
HTT P42858 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA5B Q9Y2D0 1/20 0.44

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
SCHEMBL211090 0.85 ALDH1A1 (0.61) ALDH1A1CYP1A2TSHRSMN1; SMN2RAB9A
SCHEMBL29828134 0.85 ALDH1A1 (0.61) ALDH1A1CYP1A2TSHRSMN1; SMN2RAB9A
SCHEMBL2142240 0.85 RAB9A (0.58) ALDH1A1CYP1A2TSHRSMN1; SMN2RAB9A
SCHEMBL27599226 0.84 SMN1; SMN2 (0.53) ALDH1A1CYP1A2SMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL3374959 0.83 ALDH1A1 (0.59) ALDH1A1CYP1A2TSHRSMN1; SMN2RAB9A
SCHEMBL1253528 0.81 RAB9A (0.51) ALDH1A1CYP1A2TSHRSMN1; SMN2RAB9A
SCHEMBL2064520 0.81 HRH1 (0.52) ALDH1A1CYP1A2TSHRSMN1; SMN2RAB9A
SCHEMBL11622965 0.81 CYP1A2 (0.50) ALDH1A1CYP1A2TSHRSMN1; SMN2RAB9A
SCHEMBL6219924 0.79 RAB9A (0.49) ALDH1A1CYP1A2TSHRSMN1; SMN2RAB9A
SCHEMBL1136888 0.78 RAB9A (0.56) ALDH1A1CYP1A2TSHRSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2010-02-04 US disclosed
US-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2010-02-04 US disclosed
US-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2010-02-04 US disclosed
EP-2125806-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARY ACTIVATING ACTIVITIES Pfizer Products Inc. (US) 2009-12-02 EP disclosed
WO-2008084303-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARY ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2008-07-17 WO disclosed
WO-2008084303-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARY ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2008-07-17 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-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES AGTR2, AGTR1, AGT ALDH1A1 1739/4885CYP1A2 657/4885TSHR 193/4885

“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.