SCHEMBL17073124

SCHEMBL17073124

O=S(=O)(c1ccc(-c2csc(-c3cccnc3)n2)cc1)N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
KDM4E B2RXH2 4/20 1.00
USP2 O75604 3/20 1.00
HPGD P15428 3/20 1.00
NPSR1 Q6W5P4 3/20 1.00
GAA P10253 2/20 0.98
GFER P55789 1/20 0.98
HSD17B10 Q99714 1/20 0.98
MEN1 O00255 2/20 0.80
KMT2A Q03164 2/20 0.80
TSHR P16473 2/20 0.80
LMNA P02545 2/20 0.80
MAPT P10636 1/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
RAB9A P51151 4/20 0.65
HTT P42858 1/20 0.61
CYP19A1 P11511 8/20 0.60
AXL P30530 1/20 0.60
PBRM1 Q86U86 1/20 0.60
MKNK1 Q9BUB5 1/20 0.60

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
SCHEMBL17073207 0.99 ALDH1A1 (1.00) ALDH1A1KDM4EUSP2HPGDNPSR1
SCHEMBL17073210 0.89 ALDH1A1 (1.00) ALDH1A1KDM4EUSP2HPGDNPSR1
SCHEMBL30058951 0.82 ALDH1A1 (0.68) ALDH1A1KDM4EUSP2HPGDNPSR1
SCHEMBL18590594 0.81 ALDH1A1 (0.69) ALDH1A1KDM4EUSP2HPGDNPSR1
SCHEMBL28882091 0.80 ALDH1A1 (0.69) ALDH1A1KDM4EUSP2HPGDNPSR1
SCHEMBL7036372 0.79 ALDH1A1 (0.66) ALDH1A1KDM4EUSP2HPGDNPSR1
Bromide SCHEMBL6833451 0.78 ALDH1A1 (0.65) ALDH1A1KDM4EUSP2HPGDNPSR1
SCHEMBL6196239 0.78 CYP19A1 (1.00) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL17073162 0.77 ALDH1A1 (0.74) ALDH1A1KDM4EUSP2HPGDNPSR1
SCHEMBL17073204 0.77 KDM4E (1.00) ALDH1A1KDM4EUSP2HPGDNPSR1

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
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 US disclosed
US-20170066731-A1 SMALL MOLECULE FATTY ACID SYNTHASE INHIBITORS Sanford Burnham Prebys Medical Discovery Institute 2017-03-09 US disclosed
US-20170066731-A1 SMALL MOLECULE FATTY ACID SYNTHASE INHIBITORS Sanford Burnham Prebys Medical Discovery Institute 2017-03-09 US disclosed
WO-2015134790-A1 SMALL MOLECULE FATTY ACID SYNTHASE INHIBITORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-09-11 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-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC ALDH1A1 934/4885KDM4E 3693/4885USP2 2350/4885
US-20170066731-A1 SMALL MOLECULE FATTY ACID SYNTHASE INHIBITORS FASN, FADS2, FADS1 ALDH1A1 831/4885KDM4E 2331/4885USP2 1627/4885

“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.