SCHEMBL14680271

SCHEMBL14680271

Cc1ccccc1-c1nnc(SCC(=O)NC(=O)Nc2ccccc2F)n1C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.59
▸ MAPT P10636 6/20 0.59
▸ POLB P06746 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ PTGES O14684 1/20 0.56
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ TSHR P16473 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ HSD17B10 Q99714 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MAPK1 P28482 1/20 0.49

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
SCHEMBL19419958 0.88 PTGES (0.56) ALDH1A1MAPTPOLBSMN1; SMN2PTGES
SCHEMBL4215617 0.79 PTGES (0.62) ALDH1A1MAPTSMN1; SMN2PTGESKMT2A
SCHEMBL4201282 0.78 KMT2A (0.72) ALDH1A1MAPTPOLBSMN1; SMN2PTGES
SCHEMBL4210645 0.77 HTT (0.63) ALDH1A1MAPTPOLBPTGESTSHR
SCHEMBL4205904 0.76 PTGES (0.67) ALDH1A1MAPTPOLBSMN1; SMN2PTGES
SCHEMBL14478812 0.76 HTT (0.71) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4204155 0.76 MAPT (0.80) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4204258 0.75 MAPK1 (0.79) ALDH1A1MAPTSMN1; SMN2PTGESMEN1
SCHEMBL4203649 0.75 PTGES (0.62) ALDH1A1MAPTPTGESMEN1KMT2A
SCHEMBL4216810 0.75 PTGES (0.73) ALDH1A1MAPTPOLBSMN1; SMN2PTGES

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
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 — — US disclosed
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 — — US disclosed
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 — — US disclosed
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 — — US disclosed
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2013-02-07 — — US disclosed
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2013-02-07 — — 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-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS MCL1, BCL2, BCL2L1 ALDH1A1 2862/4885MAPT 3689/4885POLB 1363/4885
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders MCL1, BCL2, BCL2L1 ALDH1A1 2862/4885MAPT 3689/4885POLB 1363/4885
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS MCL1, BCL2, BCL2L1 ALDH1A1 2862/4885MAPT 3689/4885POLB 1363/4885

“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.

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