SCHEMBL12719097

SCHEMBL12719097

ONCc1cccc(Br)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.36
▸ IDO1 P14902 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ MEP1B Q16820 1/20 0.35
▸ TAAR1 Q96RJ0 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CFD P00746 4/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 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
SCHEMBL19233952 0.80 TAAR1 (0.46) ATMHTR2AHTR2CTAAR1MAPT
SCHEMBL23803551 0.79 P2RX7 (0.40) IDO1THRBTAAR1KMT2ARIPK1
SCHEMBL11194513 0.79 KMT2A (0.47) IDO1THRBTAAR1CA2KMT2A
Hydrochloric Acid SCHEMBL22190204 0.78 P2RX7 (0.40) IDO1THRBKMT2ARIPK1LMNA
SCHEMBL332346 0.77 APOBEC3G (0.37) ATMIDO1MEP1BTAAR1CFD
SCHEMBL18149867 0.74 KMT2A (0.43) CA2KMT2ARIPK1CA12CA1
SCHEMBL2035298 0.74 RIPK1 (0.49) KMT2ARIPK1CFDSMN1; SMN2
SCHEMBL28668675 0.74 TAAR1 (0.37) IDO1TAAR1GABRA1GABRB2
SCHEMBL1363756 0.74 TAAR1 (0.46) IDO1TAAR1GABRA1GABRB2
SCHEMBL30933463 0.74 TAAR1 (0.37) IDO1MEP1BTAAR1LMNAGABRA1

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
EP-2064192-B1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2014-05-14 — — EP disclosed
US-20130131063-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY PHARMACEUTICALS, INC. (US) 2013-05-23 — — US disclosed
US-7928244-B2 Isoxazolidine small molecules; cancer, hyperproliferation disorders; blocking antiapoptotic function INFINITY DISCOVERY, INC. (US) 2011-04-19 — — US disclosed
US-20080114167-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY DISCOVERY, INC. (US) 2008-05-15 — — 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 (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-20080114167-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL2, BCL2L1, BCL2L11 ATM 2967/4885IDO1 3419/4885THRB 3406/4885
US-20130131063-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL2, BCL2L1, BCL2L11 ATM 2967/4885IDO1 3419/4885THRB 3406/4885

“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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