SCHEMBL15225912

SCHEMBL15225912

O=S(=O)(NC1CCCCC1)c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
KDM4E B2RXH2 1/20 0.59
RECQL P46063 1/20 0.59
ALDH1A1 P00352 9/20 0.58
NAMPT P43490 2/20 0.56
TSHR P16473 3/20 0.54
HTT P42858 2/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
HDAC8 Q9BY41 1/20 0.53
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 4/20 0.51
KMT2A Q03164 1/20 0.51
MCOLN3 Q8TDD5 1/20 0.51
HPGD P15428 2/20 0.50
HTR1A P08908 1/20 0.50
HTR7 P34969 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL783637 0.95 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ERECQLALDH1A1NAMPT
Bicarbonate SCHEMBL15226047 0.94 NAMPT (0.57) SMN1; SMN2KDM4ERECQLALDH1A1NAMPT
SCHEMBL1282031 0.92 HDAC8 (0.56) SMN1; SMN2KDM4ERECQLALDH1A1NAMPT
SCHEMBL21959842 0.86 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1TSHRHTTHDAC8
SCHEMBL9954499 0.85 HDAC8 (0.51) SMN1; SMN2KDM4ERECQLALDH1A1NAMPT
SCHEMBL13188191 0.83 PRKCZ (0.45) SMN1; SMN2KDM4ERECQLALDH1A1NAMPT
SCHEMBL29086059 0.81 IKBKB (0.48) ALDH1A1NAMPTHDAC8HTR1AHTR7
SCHEMBL30585992 0.81 IKBKB (0.48) ALDH1A1NAMPTHDAC8HTR1AHTR7
SCHEMBL26727086 0.81 HTR1A (0.49) SMN1; SMN2ALDH1A1NAMPTHTTMAPK1
Hydrochloric Acid SCHEMBL21640226 0.80 IKBKB (0.47) ALDH1A1NAMPTHDAC8HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1616859-B1 Substituted cyclohexyl carboxylic acid compounds SEIKAGAKU KOGYO CO LTD (JP) 2013-09-04 EP claimed
US-10858383-B2 Remote heteroaryl alkenylation with catalytic bifunctional template THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-08 US disclosed
US-20200131213-A1 Remote Heteroaryl Alkenylation With Catalytic Bifunctional Template THE SCRIPPS RESEARCH INSTITUTE 2020-04-30 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-20200131213-A1 Remote Heteroaryl Alkenylation With Catalytic Bifunctional Template APEH, ALKBH3, JMJD7 SMN1; SMN2 3965/4885KDM4E 696/4885RECQL 205/4885
US-10858383-B2 Remote heteroaryl alkenylation with catalytic bifunctional template APEH, ALKBH3, JMJD7 SMN1; SMN2 3965/4885KDM4E 696/4885RECQL 205/4885

“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.