SCHEMBL19999060

SCHEMBL19999060

O=C1CC(=S)SC1=Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAT1 P18440 2/20 0.56
▸ CA2 P00918 1/20 0.56
▸ EPHX1 P07099 1/20 0.56
▸ PIM1 P11309 1/20 0.51
▸ PIM3 Q86V86 1/20 0.51
▸ PIM2 Q9P1W9 1/20 0.51
▸ CISD1 Q9NZ45 4/20 0.49
▸ MAOA P21397 2/20 0.49
▸ MAOB P27338 1/20 0.49
▸ MAPT P10636 1/20 0.44
▸ MMP3 P08254 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PNP P00491 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL16998370 0.75 RAB9A (0.37) NAT1CA2EPHX1PIM1MAOA
SCHEMBL2685792 0.73 TDP1 (0.70) NAT1CA2EPHX1PIM1PIM3
SCHEMBL19546477 0.73 TDP1 (0.70) NAT1CA2EPHX1PIM1PIM3
SCHEMBL2685789 0.73 TDP1 (0.70) NAT1CA2EPHX1PIM1PIM3
SCHEMBL1812224 0.71 NAT1 (1.00) NAT1CA2EPHX1PIM1PIM3
SCHEMBL4416451 0.71 NAT1 (1.00) NAT1CA2EPHX1PIM1PIM3
SCHEMBL3491175 0.71 NAT1 (1.00) NAT1CA2EPHX1PIM1PIM3
SCHEMBL16998368 0.70 CYP2A6 (0.48) NAT1PIM1CISD1MAPTMEN1
SCHEMBL16998372 0.70 DYRK1A (0.66) PIM1MAPTMEN1NPC1KMT2A
SCHEMBL9635221 0.69 PTGS2 (0.64) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 — — 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-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 NAT1 867/4885CA2 4417/4885EPHX1 3076/4885

“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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