SCHEMBL17972738

SCHEMBL17972738

Cc1c(C(=O)N2CCSC2=S)cccc1C(=O)N1CCSC1=S

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 5/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
HSD17B10 Q99714 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
XDH P47989 1/20 0.40
NOTUM Q6P988 1/20 0.39
MCL1 Q07820 1/20 0.36
GAA P10253 2/20 0.35
THRB P10828 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HTT P42858 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33

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
SCHEMBL6355521 0.84 KMT2A (0.62) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL10047880 0.80 KMT2A (0.63) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL17165572 0.78 KMT2A (0.56) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL17980841 0.77 MAPT (0.56) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL10047911 0.76 KMT2A (1.00) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL2685197 0.76 ALDH1A1 (1.00) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL13969677 0.73 KMT2A (0.50) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL19416378 0.72 KMT2A (0.49) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL2684725 0.72 KMT2A (0.53) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL21632834 0.72 KMT2A (0.68) MAPTKMT2AALDH1A1CYP1A2CYP2C19

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
US-11691997-B2 Macrocycles LUMIPHORE, INC. (US) 2023-07-04 US disclosed
US-20170183365-A1 MACROCYCLES LUMIPHORE, INC. 2017-06-29 US disclosed
US-20160221971-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2016-08-04 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 (3 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-20160221971-A1 DI-MACROCYCLES DLD, NDC1, MCL1 MAPT 1196/4885KMT2A 4469/4885ALDH1A1 1827/4885
US-11691997-B2 Macrocycles HCCS, ABCB7, AURKAIP1 MAPT 1131/4885KMT2A 4535/4885ALDH1A1 1863/4885
US-20170183365-A1 MACROCYCLES HCCS, ABCB7, AURKAIP1 MAPT 1131/4885KMT2A 4535/4885ALDH1A1 1863/4885

“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.