SCHEMBL4739128

SCHEMBL4739128

C#CCNC(=O)c1ccc(C(C)C)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
GRM5 P41594 2/20 0.41
KDM4E B2RXH2 2/20 0.40
NAMPT P43490 1/20 0.40
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HCAR3 P49019 1/20 0.38
SCD O00767 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 2/20 0.36
LMNA P02545 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL23103093 0.83 HPGDS (0.44) GRM5KDM4EHCAR3HDAC1HDAC6
SCHEMBL14996248 0.80 KDM4E (0.61) CA12CA1CA2CA9CA14
SCHEMBL31280187 0.80 KDM4E (0.61) CA12CA1CA2CA9CA14
SCHEMBL17670950 0.79 L3MBTL1 (0.58) CA12CA1CA2CA9CA14
SCHEMBL12141948 0.78 HPGD (0.51) KDM4ENAMPTHCAR3L3MBTL1LMNA
SCHEMBL20804091 0.78 GABRA5 (0.44) GRM5KDM4ENAMPTHCAR3
SCHEMBL12017909 0.78 BAZ2B (0.53) GRM5HCAR3HDAC1HDAC6
SCHEMBL12985976 0.77 NPC1 (0.54) KDM4ENAMPTHDAC1HDAC6NPC1
SCHEMBL13043368 0.77 KDM4E (0.51) KDM4EAPOBEC3AAPOBEC3GL3MBTL1EPHX2
SCHEMBL19251863 0.77 CA1 (0.56) CA12CA1CA2CA9CA14

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-8771646-B2 Nicotinic acid and picolinic acid derived near-infrared fluorophores VISEN MEDICAL, INC. (US) 2014-07-08 US disclosed
US-20130272967-A1 Nicotinic Acid and Picolinic Acid Derived Near-Infrared Fluorophores VISEN MEDICAL, INC. 2013-10-17 US disclosed
US-8455651-B2 Nicotinic acid and picolinic acid derived near-infrared fluorophores VISEN MEDICAL, INC. (US) 2013-06-04 US disclosed
US-8173819-B2 Nicotinic and picolinic acid derived near-infrared fluorophores VISEN MEDICAL, INC. (US) 2012-05-08 US disclosed
US-8173819-B2 Nicotinic and picolinic acid derived near-infrared fluorophores VISEN MEDICAL, INC. (US) 2012-05-08 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-20130272967-A1 Nicotinic Acid and Picolinic Acid Derived Near-Infrared Fluorophores NAPRT, NAMPT, HCAR2 CA12 100/4885CA1 110/4885CA2 262/4885

“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.