SCHEMBL19742986

SCHEMBL19742986

CC1CCCN(S(=O)(=O)c2c(N)n(C3CCCCC3)c3nccnc23)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
AKR1C3 P42330 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL19742981 0.95 KMT2A (0.37) KMT2APOLBALDH1A1TSHRLMNA
SCHEMBL19742995 0.88 KMT2A (0.39) KMT2AALDH1A1LMNAAKR1C3HTT
SCHEMBL19743046 0.88 KMT2A (0.40) KMT2AALDH1A1LMNAHTTKDM4E
SCHEMBL19743025 0.88 KMT2A (0.40) KMT2AALDH1A1LMNAHTTKDM4E
SCHEMBL19743062 0.88 KMT2A (0.40) KMT2AALDH1A1LMNAHTTKDM4E
SCHEMBL19743047 0.84 SMN1; SMN2 (0.36) ALDH1A1TSHRLMNANPSR1HTT
SCHEMBL19742988 0.84 APOBEC3A (0.39) KMT2AALDH1A1TSHRNPSR1KDM4E
SCHEMBL19743016 0.83 NAAA (0.35)
SCHEMBL19743053 0.83 MEN1 (0.36) KMT2AALDH1A1LMNAKDM4EGAA
SCHEMBL19742973 0.83 ALOX15 (0.44) KMT2AALDH1A1LMNAAKR1C3HTT

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-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2017-12-28 US claimed
US-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2017-12-28 US disclosed
US-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2017-12-28 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 (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-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE GPR119, IDO1, IDO2 KMT2A 1992/4885POLB 4471/4885ALDH1A1 1063/4885

“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.