SCHEMBL4877917

SCHEMBL4877917

COc1cccc(C2(C#N)CCC(NC3CCNCC3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
HTR2C P28335 2/20 0.44
KDM1A O60341 3/20 0.41
MAOA P21397 2/20 0.41
CYP1A2 P05177 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOB P27338 1/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4877907 1.00 KMT2A (0.56) KMT2ACTSLCTSBCTSSCTSK
Hydrochloric Acid SCHEMBL4877630 0.99 KMT2A (0.55) KMT2ACTSLCTSBCTSSCTSK
Hydrochloric Acid SCHEMBL4880665 0.99 KMT2A (0.55) KMT2ACTSLCTSBCTSSCTSK
Hydrochloric Acid SCHEMBL4877626 0.99 KMT2A (0.55) KMT2ACTSLCTSBCTSSCTSK
SCHEMBL5472932 0.88 KMT2A (0.58) KMT2ACYP1A2CYP2C19LMNACYP3A4
SCHEMBL5469900 0.88 KMT2A (0.58) KMT2ACYP1A2CYP2C19LMNACYP3A4
SCHEMBL5469906 0.88 KMT2A (0.58) KMT2ACYP1A2CYP2C19LMNACYP3A4
SCHEMBL5470195 0.85 KMT2A (0.72) KMT2AKDM1AALDH1A1SLC6A4SLC6A2
SCHEMBL5470199 0.85 KMT2A (0.72) KMT2AKDM1AALDH1A1SLC6A4SLC6A2
SCHEMBL4878379 0.84 KMT2A (0.68) KMT2AHTR2CKDM1ASLC6A4SLC6A2

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-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 KMT2A 1132/4885CTSL 4280/4885CTSB 4007/4885

“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.