SCHEMBL10200740

SCHEMBL10200740

COCOc1ccnc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.46
▸ LOX P28300 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.38
▸ NOTUM Q6P988 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ AR P10275 1/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ CCR8 P51685 1/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ TGFBR1 P36897 3/20 0.35
▸ KCNQ2 O43526 1/20 0.35
▸ RXRA P19793 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ MGLL Q99685 1/20 0.34

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
SCHEMBL1662471 0.82 LOXL2 (0.49) LOXL2LOXNOTUMIDO1AR
SCHEMBL1662456 0.82 CCR1 (0.55) LOXL2LOXLRRK2NOTUMIDO1
SCHEMBL27894825 0.77 LOXL2 (0.50) LOXL2LOXLRRK2NOTUMIDO1
SCHEMBL28406146 0.76 LOXL2 (0.42) LOXL2LOXNOTUMARTGFBR1
SCHEMBL22277951 0.74 LOXL2 (0.61) LOXL2LOXLRRK2NOTUMIDO1
SCHEMBL2078315 0.74 CHRNB2 (0.46) —
SCHEMBL25213572 0.73 PTPN7 (0.46) LOXL2LOX
SCHEMBL30755909 0.73 MAOA (0.41) LOXL2LRRK2CCR1CCR5CCR8
SCHEMBL13611319 0.73 LOXL2 (0.41) LOXL2LOXLRRK2NOTUMIDO1
SCHEMBL30753303 0.73 NOS3 (0.40) LOXL2LOXIDO1ARCCR1

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-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 — — US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 — — US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 — — US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 — — 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 (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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 LOXL2 1650/4885LOX 757/4885LRRK2 3410/4885

“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.

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