SCHEMBL9926539

SCHEMBL9926539

CC(=O)NCc1ccc(Cl)cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 1/20 0.57
P2RX7 Q99572 7/20 0.54
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
NLRP1 Q9C000 1/20 0.44
IDH1 O75874 1/20 0.44
ANO1 Q5XXA6 1/20 0.44
ANO2 Q9NQ90 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
SCHEMBL3130070 0.88 P2RX7 (0.56) SETDB1P2RX7HDAC3HDAC1HDAC2
SCHEMBL6529545 0.84 LMNA (0.60) SETDB1P2RX7LMNAMEN1MAPT
SCHEMBL19263974 0.83 MTNR1A (0.58) SETDB1LMNAMAPTSMN1; SMN2MTNR1A
SCHEMBL23565221 0.83 P2RX7 (0.59) P2RX7HDAC3HDAC1HDAC2HDAC6
SCHEMBL12128721 0.83 EPHX2 (0.51) SETDB1HDAC1HDAC6LMNAMEN1
SCHEMBL6248360 0.82 NPC1 (0.60) SETDB1P2RX7MEN1KMT2ASMN1; SMN2
SCHEMBL15682778 0.82 HDAC1 (0.54) P2RX7HDAC3HDAC1HDAC2HDAC6
SCHEMBL15682815 0.81 P2RX7 (0.50) P2RX7HDAC3HDAC1HDAC2HDAC6
SCHEMBL10204843 0.81 SETDB1 (0.47) SETDB1P2RX7HDAC1HDAC6MAPT
SCHEMBL5724270 0.79 SETDB1 (0.57) SETDB1LMNAMEN1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 US disclosed
US-8039668-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-10-18 US disclosed
US-8039668-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-10-18 US disclosed
US-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-10-21 US disclosed
US-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-10-21 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-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS HAX1, BAX, APOL1 SETDB1 4881/4885P2RX7 599/4885HDAC3 430/4885
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 SETDB1 3883/4885P2RX7 3259/4885HDAC3 1516/4885

“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.