SCHEMBL1591828

SCHEMBL1591828

O=Cc1c(F)cc(Cl)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL6874370 0.82 ALDH1A1 (0.39) ALDH1A1TDP1MEN1KMT2ACA1
SCHEMBL1814109 0.80 TDP1 (0.39) ALDH1A1TDP1MEN1KMT2A
SCHEMBL10701295 0.78 ALDH1A1 (0.44) ALDH1A1TDP1MEN1KMT2ACYP3A4
SCHEMBL10497746 0.78 CA1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19CA1
SCHEMBL6060504 0.77 ERN1 (0.42) ALDH1A1TDP1MEN1KMT2ACYP3A4
SCHEMBL29800259 0.77 GRIN2D (0.37) ALDH1A1TDP1MEN1KMT2ACYP3A4
SCHEMBL9712527 0.77 ERN1 (0.42) ALDH1A1TDP1MEN1KMT2ACA1
SCHEMBL29824002 0.77 ERN1 (0.42) ALDH1A1TDP1MEN1KMT2ACA1
SCHEMBL22469513 0.77 GRIN2D (0.37) ALDH1A1TDP1MEN1KMT2ACYP3A4
SCHEMBL6061080 0.77 ERN1 (0.38) ALDH1A1TDP1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
US-8420646-B2 Tricyclic tetrahydroquinoline antibacterial agents PAH P&U LLC (US) 2013-04-16 US disclosed
US-20110092494-A1 Tricyclic Tetrahydroquinoline Antibacterial Agents PHARMACIA & UPJOHN COMPANY 2011-04-21 US disclosed
EP-2231619-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
EP-1551849-B1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2010-07-14 EP disclosed
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY 2010-01-28 US disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-7605157-B2 Tricyclic tetrahydroquinoline antibacterial agents PHARMACIA & UPJOHN COMPANY LLC (US) 2009-10-20 US disclosed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 US disclosed
US-20070161630-A1 Tricyclic tetrahydroquinoline antibacterial agents ZOETIS SERVICES LLC 2007-07-12 US disclosed
US-7208490-B2 Tricyclic tetrahydroquinoline antibacterial agents PHARMACIA & UPJOHN COMPANY LLC (US) 2007-04-24 US disclosed
EP-1551849-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2005-07-13 EP disclosed
US-20040162279-A1 Tricyclic tetrahydroquinoline antibacterial agents ZOETIS SERVICES LLC 2004-08-19 US disclosed
WO-2004031195-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-04-15 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 (5 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-20110092494-A1 Tricyclic Tetrahydroquinoline Antibacterial Agents QTRT1, QTRT2, NQO2 ALDH1A1 1420/4885TDP1 1527/4885MEN1 2817/4885
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 ALDH1A1 503/4885TDP1 3814/4885MEN1 4834/4885
US-20070161630-A1 Tricyclic tetrahydroquinoline antibacterial agents QTRT1, QTRT2, NQO2 ALDH1A1 1420/4885TDP1 1527/4885MEN1 2817/4885
US-20040162279-A1 Tricyclic tetrahydroquinoline antibacterial agents QTRT1, QTRT2, NQO2 ALDH1A1 1420/4885TDP1 1527/4885MEN1 2817/4885
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS QTRT1, QTRT2, NQO2 ALDH1A1 1420/4885TDP1 1527/4885MEN1 2817/4885

“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.