SCHEMBL13060071

SCHEMBL13060071

CCc1ccc(C(=O)NCCc2ccccn2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
RAB9A P51151 4/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
ALDH1A1 P00352 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PKM P14618 1/20 0.47
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47

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
SCHEMBL12313824 0.88 HPGD (0.67) HPGDRAB9ANPC1MEN1KMT2A
SCHEMBL17029121 0.85 RAB9A (0.59) HPGDRAB9ANPC1MEN1KMT2A
SCHEMBL12265901 0.81 HPGD (0.52) HPGDRAB9ANPC1MEN1KMT2A
SCHEMBL4928157 0.78 HDAC1 (0.56) HPGDRAB9ANPC1MEN1KMT2A
SCHEMBL12723016 0.78 RAB9A (0.55) HPGDRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL12313830 0.77 HDAC6 (0.52) HPGDRAB9ANPC1MEN1KMT2A
SCHEMBL10162883 0.76 NPC1 (0.64) HPGDRAB9ANPC1MEN1KMT2A
SCHEMBL12313385 0.76 RAB9A (0.60) HPGDRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL12723095 0.76 RAB9A (0.48) HPGDRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL5000346 0.75 AKT3 (0.77)

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-20100310537-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2010-12-09 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-20100310537-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, CD44, NES HPGD 884/4885RAB9A 2746/4885NPC1 2314/4885

“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.