SCHEMBL4083522

SCHEMBL4083522

Nc1ccc(CCc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.76
NPC1 O15118 3/20 0.76
MAPT P10636 4/20 0.69
ALDH1A1 P00352 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
GFER P55789 2/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
POLB P06746 2/20 0.62
NTRK1 P04629 2/20 0.55
NTRK2 Q16620 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL30583066 0.86 RAB9A (1.00) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL784574 0.86 RAB9A (1.00) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL4035159 0.85 GAA (0.75) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL230157 0.84 POLB (0.84) RAB9ANPC1MAPTPOLBPDE10A
SCHEMBL8593445 0.84 RAB9A (0.76) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL8957996 0.84 NPC1 (0.76) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL10048497 0.83 MAPT (0.97) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL3764806 0.81 MAPT (0.78) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL524002 0.81 POLB (0.72) RAB9ANPC1POLBPDE10AGAA
SCHEMBL29620366 0.81 POLB (0.72) RAB9ANPC1POLBPDE10AGAA

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-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 US disclosed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO 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-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA RAB9A 634/4885NPC1 4135/4885MAPT 3004/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA RAB9A 634/4885NPC1 4135/4885MAPT 3004/4885

“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.