SCHEMBL19102444

SCHEMBL19102444

Cc1cnc(C(=O)NI)s1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.46
NPC1 O15118 8/20 0.44
RAB9A P51151 8/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
FDPS P14324 1/20 0.42
PKM P14618 3/20 0.41
POLB P06746 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
NOS1 P29475 1/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.39
AHR P35869 1/20 0.38

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
SCHEMBL2629375 0.82 SMYD3 (0.47) SMYD3NPC1RAB9AMEN1KMT2A
SCHEMBL12124245 0.82 SMYD3 (0.47) SMYD3NPC1RAB9AMEN1KMT2A
SCHEMBL12181522 0.80 SMYD3 (0.46) SMYD3NPC1RAB9AMEN1KMT2A
SCHEMBL107828 0.80 SMYD3 (0.52) SMYD3NPC1RAB9AMEN1KMT2A
SCHEMBL20190429 0.78 SMYD3 (0.48) SMYD3NPC1RAB9AMEN1KMT2A
SCHEMBL12124542 0.78 SMYD3 (0.44) SMYD3NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL30015722 0.78 SMYD3 (0.51) SMYD3NPC1RAB9AMEN1KMT2A
SCHEMBL12124262 0.77 SMYD3 (0.51) SMYD3NPC1RAB9AMEN1KMT2A
SCHEMBL12124304 0.77 SMYD3 (0.47) SMYD3NPC1RAB9AMEN1KMT2A
SCHEMBL12124441 0.77 LMNA (0.47) SMYD3NPC1RAB9AMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210369716-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-12-02 US disclosed
US-11123348-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2021-09-21 US disclosed
US-20200179391-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2020-06-11 US disclosed
US-10596175-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2020-03-24 US disclosed
US-20190000852-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2019-01-03 US disclosed
US-9700559-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-07-11 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 (5 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-20190000852-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT SMYD3 3311/4885NPC1 111/4885RAB9A 1160/4885
US-11123348-B2 Compounds and compositions for the treatment of parasitic diseases TYR, TBCA, MAPT SMYD3 3311/4885NPC1 111/4885RAB9A 1160/4885
US-10596175-B2 Compounds and compositions for the treatment of parasitic diseases TYR, TBCA, MAPT SMYD3 3311/4885NPC1 111/4885RAB9A 1160/4885
US-20210369716-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT SMYD3 3311/4885NPC1 111/4885RAB9A 1160/4885
US-20200179391-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT SMYD3 3311/4885NPC1 111/4885RAB9A 1160/4885

“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.