SCHEMBL1567098

SCHEMBL1567098

O=C(NCc1ccc(C(=O)O)cc1)NCc1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.67
FES P07332 1/20 0.65
RET P07949 1/20 0.65
MARK3 P27448 1/20 0.65
TYK2 P29597 1/20 0.65
FLT4 P35916 1/20 0.65
SYK P43405 1/20 0.65
CLK2 P49760 1/20 0.65
CLK4 Q9HAZ1 1/20 0.65
KMT2A Q03164 2/20 0.60
RECQL P46063 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
USP2 O75604 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.57
P2RX7 Q99572 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56

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
SCHEMBL29684017 0.89 NAMPT (0.76) NAMPTFESRETMARK3TYK2
SCHEMBL20236126 0.88 CYP1A2 (0.66) NAMPTRECQLUSP2POLBGAA
SCHEMBL29460250 0.87 FES (0.81) NAMPTFESRETMARK3TYK2
SCHEMBL9130703 0.87 FES (0.81) NAMPTFESRETMARK3TYK2
SCHEMBL1567228 0.84 SMN1; SMN2 (0.68) NAMPTKMT2ASMN1; SMN2L3MBTL1POLB
SCHEMBL1566393 0.83 CYP3A4 (0.73) KMT2ASMN1; SMN2GAACYP1A2CYP3A4
SCHEMBL2434821 0.82 HDAC1 (0.78) NAMPTCYP3A4
SCHEMBL2410964 0.82 HDAC1 (0.70) NAMPTSMN1; SMN2CYP3A4HTT
SCHEMBL2636669 0.81 LTA4H (0.69) NAMPTKMT2ARECQLUSP2CYP1A2
SCHEMBL14323610 0.80 FLT4 (0.97) NAMPTFESRETMARK3TYK2

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
CN-106986856-A It is used as 4 { [(ylmethyl of pyridine 3) amino carbonyl] amino } Benzosulfone derivatives of the NAMPT inhibitor for treating diseases such as cancer 福马TM有限责任公司 2017-07-28 CN disclosed
US-8889876-B2 Histone deacetylase inhibitors and uses thereof JIANGSU HENGYI PHARMACEUTICAL CO., LTD. (CN) 2014-11-18 US disclosed
US-20110152323-A1 Histone deacetylase inhibitors and uses thereof JIANGSU GOWORTH INVESTMENT CO. LTD (CN) 2011-06-23 US disclosed
EP-2308868-A1 HISTONE DEACETYLASE INHIBITORS AND USES THEREOF Jiangsu Goworth Investment Co. Ltd (CN) 2011-04-13 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-20110152323-A1 Histone deacetylase inhibitors and uses thereof HDAC1, HDAC11, HDAC5 NAMPT 218/4885FES 4300/4885RET 2199/4885

“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.