SCHEMBL20109299

SCHEMBL20109299

S=C(NCCS)Nc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
RAB9A P51151 4/20 0.66
NPC1 O15118 3/20 0.66
MAOA P21397 2/20 0.66
MAOB P27338 2/20 0.66
LMNA P02545 4/20 0.64
ALDH1A1 P00352 4/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
HDAC3 O15379 3/20 0.61
HDAC4 P56524 3/20 0.61
HDAC1 Q13547 3/20 0.61
HDAC7 Q8WUI4 3/20 0.61
HDAC2 Q92769 3/20 0.61
HDAC10 Q969S8 3/20 0.61
HDAC11 Q96DB2 3/20 0.61
HDAC8 Q9BY41 3/20 0.61
HDAC6 Q9UBN7 3/20 0.61
HDAC9 Q9UKV0 3/20 0.61
HDAC5 Q9UQL6 3/20 0.61
GAA P10253 4/20 0.60

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
SCHEMBL8956279 0.88 KMT2A (0.78) KMT2ARAB9ANPC1MAOAMAOB
SCHEMBL5138189 0.82 KMT2A (0.73) KMT2ARAB9ANPC1MAOAMAOB
SCHEMBL5458013 0.81 KMT2A (1.00) KMT2ARAB9ANPC1MAOAMAOB
SCHEMBL4397993 0.81 KMT2A (0.68) KMT2ARAB9ANPC1MAOAMAOB
SCHEMBL10944985 0.80 LMNA (0.71) KMT2ARAB9ANPC1MAOAMAOB
SCHEMBL18243810 0.79 KMT2A (0.71) KMT2ARAB9ANPC1MAOAMAOB
SCHEMBL1520437 0.79 RAB9A (1.00) KMT2ARAB9ANPC1MAOAMAOB
Hydrochloric Acid SCHEMBL322544 0.79 KMT2A (0.66) KMT2ARAB9ANPC1MAOAMAOB
SCHEMBL4575974 0.79 LMNA (0.87) KMT2ARAB9ANPC1MAOAMAOB
SCHEMBL320761 0.79 KMT2A (0.66) KMT2ARAB9ANPC1MAOAMAOB

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-10633403-B2 N-heterocyclic phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA (US) 2020-04-28 US disclosed
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 US disclosed
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 KMT2A 2508/4885RAB9A 1464/4885NPC1 1228/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 KMT2A 2508/4885RAB9A 1464/4885NPC1 1228/4885

“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.