SCHEMBL1637032

SCHEMBL1637032

C#Cc1cccc(C(=O)c2ccc(F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALPG P10696 2/20 0.45
HPGD P15428 2/20 0.45
VNN1 O95497 2/20 0.45
CTSL P07711 2/20 0.45
CTSK P43235 1/20 0.45
LTA4H P09960 1/20 0.44
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK14 Q16539 2/20 0.41
ESR1 P03372 1/20 0.41
SRD5A2 P31213 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41

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
SCHEMBL3842852 0.88 L3MBTL1 (0.50) ATMTDP1L3MBTL1LMNAALDH1A1
SCHEMBL3839084 0.88 TDP1 (0.52) ATMTDP1L3MBTL1VNN1ALDH1A1
SCHEMBL7716078 0.86 ATM (0.48) ATMTDP1L3MBTL1LMNASMN1; SMN2
SCHEMBL1637630 0.86 ATM (0.63) ATMTDP1L3MBTL1LMNASMN1; SMN2
SCHEMBL7715052 0.83 ATM (0.46) ATMTDP1L3MBTL1LMNASMN1; SMN2
SCHEMBL6545360 0.83 ATM (0.46) ATMTDP1L3MBTL1LMNASMN1; SMN2
SCHEMBL566015 0.82 LTA4H (0.53) TDP1LMNASMN1; SMN2ALPGHPGD
SCHEMBL4301156 0.82 L3MBTL1 (0.53) ATMTDP1L3MBTL1LMNASMN1; SMN2
SCHEMBL209624 0.82 ATM (0.67) ATMTDP1L3MBTL1LMNASMN1; SMN2
SCHEMBL7716935 0.79 VNN1 (0.47) ATMTDP1L3MBTL1VNN1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042506-B1 SUBSTITUTED PHENYLETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX UBE INDUSTRIES (JP) 2012-12-19 EP disclosed
US-7932398-B2 Substituted phenylethynylgold-nitrogen-containing heterocyclic carbene complex UBE INDUSTRIES, LTD. (JP) 2011-04-26 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-7678873-B1 Acetylene-terminated hyperbranched poly(arylene-ether-ketone-imides) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2010-03-16 US disclosed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP disclosed
US-20090234130-A1 SUBSTITUTED PHENYLETHYNYLGOLD-NITROGEN-CONTAINING HETEROCYCLIC CARBENE COMPLEX UBE INDUSTRIES, LTD. (JP) 2009-09-17 US disclosed
EP-2042506-A1 SUBSTITUTED PHENYLETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX Ube Industries, Ltd. (JP) 2009-04-01 EP disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 ATM 673/4885TDP1 700/4885L3MBTL1 3839/4885
US-20090234130-A1 SUBSTITUTED PHENYLETHYNYLGOLD-NITROGEN-CONTAINING HETEROCYCLIC CARBENE COMPLEX CCRL2, CCNL2, ATXN2L ATM 2810/4885TDP1 4727/4885L3MBTL1 1556/4885

“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.