SCHEMBL3545678

SCHEMBL3545678

CCC(=O)c1cnc(C)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
ALDH1A1 P00352 5/20 0.41
TSHR P16473 3/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ABL1 P00519 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
VRK1 Q99986 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GABRA1 P14867 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
SCHEMBL114191 0.79 HCAR2 (0.47) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL17295856 0.79 CYP2C9 (0.53) MAPTTSHRMEN1KMT2ALMNA
SCHEMBL26337535 0.78 LMNA (0.42) LMNASMN1; SMN2HDAC1HDAC6
Hydrochloric Acid SCHEMBL17785057 0.78 HCAR2 (0.46) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL26124336 0.77 KDM4E (0.45) MAPTALDH1A1GAALMNAHDAC1
SCHEMBL23167635 0.75 HDAC6 (0.59) HDAC1HDAC6
SCHEMBL30574354 0.75 ATM (0.51) MAPTALDH1A1TSHRGAALMNA
SCHEMBL114553 0.75 ATM (0.51) MAPTALDH1A1TSHRGAALMNA
SCHEMBL13971730 0.75 HDAC1 (0.53) MAPTALDH1A1TSHRHPGDGAA
SCHEMBL16215530 0.74 ABL1 (0.35) ALDH1A1ABL1HDAC1HDAC6L3MBTL1

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
US-7829586-B2 Aryl-substituted nitrogen-containing heterocyclic compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-09 US disclosed
US-7829586-B2 Aryl-substituted nitrogen-containing heterocyclic compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-09 US disclosed
US-7829586-B2 Aryl-substituted nitrogen-containing heterocyclic compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-09 US disclosed
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds MSD K.K. (JP) 2009-11-05 US disclosed
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds MSD K.K. (JP) 2009-11-05 US disclosed
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds MSD K.K. (JP) 2009-11-05 US disclosed
EP-1935881-A1 ARYL-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 EP disclosed
EP-1935881-A1 ARYL-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 EP 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-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds OPRL1, NPSR1, NPBWR1 MAPT 2946/4885ALDH1A1 1623/4885TSHR 220/4885

“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.