SCHEMBL876550

SCHEMBL876550

OCc1cnc(Oc2cccc(C(F)(F)F)c2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.50
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
ERBB3 P21860 1/20 0.48
ERBB4 Q15303 1/20 0.48
LMNA P02545 1/20 0.47
SCN9A Q15858 2/20 0.47
CTSC P53634 1/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
P2RY1 P47900 3/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPP1CA P62136 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL875683 0.86 P2RY1 (0.47) RAB9ASMN1; SMN2EGFRALDH1A1POLB
SCHEMBL14661714 0.85 L3MBTL1 (0.45) RAB9ASMN1; SMN2EGFRALDH1A1POLB
SCHEMBL14661705 0.82 CYP1A2 (0.53) RAB9ASMN1; SMN2EGFRALDH1A1POLB
SCHEMBL4168949 0.81 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2LMNASCN9AKMT2A
SCHEMBL3505063 0.81 RAB9A (0.61) RAB9ASMN1; SMN2EGFRERBB2ERBB3
SCHEMBL15096443 0.81 RAB9A (0.45) RAB9ASMN1; SMN2LMNASCN9AALDH1A1
SCHEMBL876135 0.78 ALDH1A1 (0.64) RAB9ASMN1; SMN2ALDH1A1POLBL3MBTL1
SCHEMBL875580 0.78 FFAR1 (0.51) EGFRERBB2ERBB3ERBB4
SCHEMBL7943182 0.78 SMN1; SMN2 (0.73) RAB9ASMN1; SMN2LMNASCN9AALDH1A1
SCHEMBL875911 0.77 RAB9A (0.54) RAB9ASMN1; SMN2LMNASCN9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 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 (2 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-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 RAB9A 3062/4885SMN1; SMN2 4240/4885EGFR 4167/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 RAB9A 3062/4885SMN1; SMN2 4240/4885EGFR 4167/4885

“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.