SCHEMBL20011254

SCHEMBL20011254

CC1CCCC(C)N1C(=O)CSc1nnc(-c2cccnc2)o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
GAA P10253 2/20 0.64
HPGD P15428 2/20 0.64
GLA P06280 1/20 0.64
MAPT P10636 3/20 0.62
HSD17B10 Q99714 1/20 0.62
POLB P06746 1/20 0.59
ATM Q13315 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
CYP1A2 P05177 1/20 0.55
MAPK1 P28482 1/20 0.55
TP53 P04637 2/20 0.55
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL20011217 0.88 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL7990085 0.82 RAB9A (0.77) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL22607227 0.79 ALDH1A1 (0.76) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL19995264 0.78 TSHR (0.62) ALDH1A1RAB9ASMN1; SMN2GAAHPGD
SCHEMBL17068797 0.71 TP53 (0.68) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL19995293 0.70 KDM4E (1.00) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL16157180 0.70 SMN1; SMN2 (0.76) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL9058883 0.70 HTT (0.79) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL21143456 0.68 KMT2A (0.73) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10
SCHEMBL26051623 0.68 HPGD (0.67) ALDH1A1NPC1RAB9ASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515435-B1 WASP-PROTECTING SMALL MOLECULES, COMPOSITIONS, METHODS AND USES THEREOF IN THE TREATMENT OF INNATE AND ACQUIRED IMMUNE-RELATED DISORDERS OR CONDITIONS UNIV BAR ILAN (IL) 2026-02-25 EP claimed
US-12150940-B2 WASp-protecting small molecules, compositions, methods and uses thereof in the treatment of innate and acquired immune-related disorders or conditions BAR ILAN UNIVERSITY (IL) 2024-11-26 US claimed
US-11123339-B2 WASp-protecting small molecules, compositions, methods and uses thereof in the treatment of innate and acquired immune-related disorders or conditions BAR ILAN UNIVERSITY (IL) 2021-09-21 US claimed
EP-3515435-B1 WASP-PROTECTING SMALL MOLECULES, COMPOSITIONS, METHODS AND USES THEREOF IN THE TREATMENT OF INNATE AND ACQUIRED IMMUNE-RELATED DISORDERS OR CONDITIONS UNIV BAR ILAN (IL) 2026-02-25 EP disclosed
US-12150940-B2 WASp-protecting small molecules, compositions, methods and uses thereof in the treatment of innate and acquired immune-related disorders or conditions BAR ILAN UNIVERSITY (IL) 2024-11-26 US disclosed
US-20210361642-A1 WASP-PROTECTING SMALL MOLECULES, COMPOSITIONS, METHODS AND USES THEREOF IN THE TREATMENT OF INNATE AND ACQUIRED IMMUNE-RELATED DISORDERS OR CONDITIONS BAR ILAN UNIVERSITY (IL) 2021-11-25 US disclosed
US-20210361642-A1 WASP-PROTECTING SMALL MOLECULES, COMPOSITIONS, METHODS AND USES THEREOF IN THE TREATMENT OF INNATE AND ACQUIRED IMMUNE-RELATED DISORDERS OR CONDITIONS BAR ILAN UNIVERSITY (IL) 2021-11-25 US disclosed
US-11123339-B2 WASp-protecting small molecules, compositions, methods and uses thereof in the treatment of innate and acquired immune-related disorders or conditions BAR ILAN UNIVERSITY (IL) 2021-09-21 US disclosed
US-11123339-B2 WASp-protecting small molecules, compositions, methods and uses thereof in the treatment of innate and acquired immune-related disorders or conditions BAR ILAN UNIVERSITY (IL) 2021-09-21 US disclosed
US-20190216794-A1 WASP-PROTECTING SMALL MOLECULES, COMPOSITIONS, METHODS AND USES THEREOF IN THE TREATMENT OF INNATE AND ACQUIRED IMMUNE-RELATED DISORDERS OR CONDITIONS BAR ILAN UNIVERSITY (IL) 2019-07-18 US disclosed
US-20190216794-A1 WASP-PROTECTING SMALL MOLECULES, COMPOSITIONS, METHODS AND USES THEREOF IN THE TREATMENT OF INNATE AND ACQUIRED IMMUNE-RELATED DISORDERS OR CONDITIONS BAR ILAN UNIVERSITY (IL) 2019-07-18 US disclosed
WO-2018055627-A1 WASP-PROTECTING SMALL MOLECULES, COMPOSITIONS, METHODS AND USES THEREOF IN THE TREATMENT OF INNATE AND ACQUIRED IMMUNE-RELATED DISORDERS OR CONDITIONS BAR ILAN UNIVERSITY (IL) 2018-03-29 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 (4 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-12150940-B2 WASp-protecting small molecules, compositions, methods and uses thereof in the treatment of innate and acquired immune-related disorders or conditions XIAP, BRWD1, ZAP70 ALDH1A1 4585/4885NPC1 2333/4885RAB9A 1657/4885
US-20210361642-A1 WASP-PROTECTING SMALL MOLECULES, COMPOSITIONS, METHODS AND USES THEREOF IN THE TREATMENT OF INNATE AND ACQUIRED IMMUNE-RELATED DISORDERS OR CONDITIONS XIAP, BRWD1, ZAP70 ALDH1A1 4585/4885NPC1 2333/4885RAB9A 1657/4885
US-11123339-B2 WASp-protecting small molecules, compositions, methods and uses thereof in the treatment of innate and acquired immune-related disorders or conditions XIAP, BRWD1, ZAP70 ALDH1A1 4585/4885NPC1 2333/4885RAB9A 1657/4885
US-20190216794-A1 WASP-PROTECTING SMALL MOLECULES, COMPOSITIONS, METHODS AND USES THEREOF IN THE TREATMENT OF INNATE AND ACQUIRED IMMUNE-RELATED DISORDERS OR CONDITIONS XIAP, BRWD1, ZAP70 ALDH1A1 4585/4885NPC1 2333/4885RAB9A 1657/4885

“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.