SCHEMBL18858122

SCHEMBL18858122

Nc1cnccc1NC(=S)S

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KDM6B O15054 1/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4D Q6B0I6 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HDAC3 O15379 3/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC2 Q92769 3/20 0.37
▸ AOC1 P19801 2/20 0.37
▸ AOC3 Q16853 2/20 0.37
▸ HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL18858121 0.85 GAA (0.39) KDM4EALDH1A1MEN1KDM6BKDM4A
SCHEMBL18858120 0.82 SMN1; SMN2 (0.38) KDM4EALDH1A1MEN1KDM6BMAPT
SCHEMBL9721793 0.79 ALDH1A1 (0.45) KDM4EALDH1A1MAPTKMT2AGLA
SCHEMBL28824138 0.76 KDM4E (0.53) KDM4EALDH1A1MEN1KDM6BKDM4A
SCHEMBL9426430 0.74 KDM4E (0.50) KDM4EALDH1A1MEN1KDM6BKDM4A
SCHEMBL8468623 0.72 HDAC3 (0.50) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL15432244 0.71 KDM4E (0.56) KDM4EALDH1A1MEN1KDM6BKDM4A
SCHEMBL9330010 0.71 — —
Ammonia Solution, Strong SCHEMBL11800520 0.71 HDAC3 (0.48) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL16095414 0.70 PTPN1 (0.48) KDM4EALDH1A1MEN1KDM6BKDM4A

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-20180134662-A1 Aminopyridine Based Buffers with Wide Buffering Ranges Antibiotics and Myelin Disease Therapy TPAT IP LLC 2018-05-17 — — US disclosed
US-9867813-B2 Aminopyridine based buffers with wide buffering ranges, antibiotics and myelin disease therapy TPAT IP LLC 2018-01-16 — — US disclosed
US-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy TPAT IP LLC 2017-05-18 — — 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 (2 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-20180134662-A1 Aminopyridine Based Buffers with Wide Buffering Ranges Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG KDM4E 1742/4885ALDH1A1 4215/4885MEN1 368/4885
US-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG KDM4E 1857/4885ALDH1A1 4272/4885MEN1 407/4885

“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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