SCHEMBL14648355

SCHEMBL14648355

Cc1ccc(C(=O)Nc2nnc(C)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 1.00
NPC1 O15118 7/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
MAPT P10636 5/20 0.77
TP53 P04637 2/20 0.77
KDM4E B2RXH2 4/20 0.66
POLB P06746 1/20 0.66
GAA P10253 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
CASP3 P42574 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
ALDH1A1 P00352 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
HPGD P15428 1/20 0.62
LMNA P02545 1/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
RXFP1 Q9HBX9 1/20 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
SCHEMBL2175908 0.87 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL28799002 0.84 SMN1; SMN2 (0.72) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL17712431 0.83 SMN1; SMN2 (0.71) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL2179411 0.82 NPC1 (0.69) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL8556554 0.81 KMT2A (0.75) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL13210613 0.81 RAB9A (0.68) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL14316971 0.79 CA1 (0.78) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL15006448 0.78 SMN1; SMN2 (0.64) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL7348805 0.76 MEN1 (0.71) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL8132955 0.76 SMN1; SMN2 (0.69) RAB9ANPC1SMN1; SMN2MAPTTP53

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-20130022629-A1 Modulators of Immunoinhibitory Receptor PD-1, and Methods of Use Thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2013-01-24 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-20130022629-A1 Modulators of Immunoinhibitory Receptor PD-1, and Methods of Use Thereof CD274, PDCD1LG2, PDCD1 RAB9A 2271/4885NPC1 3823/4885SMN1; SMN2 4661/4885

“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.