SCHEMBL4752199

SCHEMBL4752199

COC(=O)c1ccsc1NC(=O)CSc1ccncc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 2/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 3/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.47

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
SCHEMBL17826649 0.88 POLB (0.48) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL4752214 0.87 L3MBTL1 (0.66) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL4751921 0.86 L3MBTL1 (0.54) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL4751453 0.86 L3MBTL1 (0.64) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL4751819 0.85 NPC1 (0.56) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL4753019 0.85 ALDH1A1 (0.53) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL4749282 0.81 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1HSD17B10LMNAPKM
SCHEMBL4752208 0.80 LMNA (0.69) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL4753022 0.79 KDM4E (0.63) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL14095084 0.78 KDM4E (0.74) SMN1; SMN2KMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008140214-A1 USE OF AMINOTHIOPHENE DERIVATIVE FOR PREVENTING OR TREATING ISCHEMIC DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO claimed
US-9364468-B2 Pharmaceutical composition for preventing or treating tuberculosis INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-06-14 US disclosed
US-9364468-B2 Pharmaceutical composition for preventing or treating tuberculosis INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-06-14 US disclosed
US-20150133503-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING TUBERCULOSIS INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2015-05-14 US disclosed
US-20150133503-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING TUBERCULOSIS INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2015-05-14 US disclosed
WO-2008140214-A1 USE OF AMINOTHIOPHENE DERIVATIVE FOR PREVENTING OR TREATING ISCHEMIC DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 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 (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-20150133503-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING TUBERCULOSIS GCDH, DHODH, MDH1 SMN1; SMN2 3953/4885KMT2A 4831/4885MEN1 3716/4885

“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.