SCHEMBL340171

SCHEMBL340171

CC(N[S+]([O-])C(C)(C)C)c1cc2nccn2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
RORC P51449 1/20 0.32
JAK2 O60674 1/20 0.31
MAT2A P31153 1/20 0.31
TGFBR1 P36897 2/20 0.31
MAOB P27338 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL339079 0.78 LMNA (0.44) NPC1EGLN2RORCJAK2TGFBR1
SCHEMBL339519 0.73 DPP4 (0.37) NPC1EGLN2RORCTGFBR1
SCHEMBL339852 0.73 EGLN2 (0.33) NPC1EGLN2RORC
SCHEMBL1893420 0.72 LMNA (0.46) MEN1KMT2AHTR2A
SCHEMBL24032037 0.71 MEN1 (0.38) TGFBR1MEN1KMT2A
SCHEMBL24031905 0.71 MEN1 (0.38) TGFBR1MEN1KMT2A
SCHEMBL13608097 0.70 KMT2A (0.36) MEN1KMT2AHTR2A
SCHEMBL3851152 0.70 KMT2A (0.36) MEN1KMT2AHTR2A
SCHEMBL1913156 0.69 EGLN2 (0.41) NPC1EGLN2RORCMAT2ATGFBR1
SCHEMBL20237642 0.68 PSEN1 (0.36) MEN1KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC NPC1 605/4885EGLN2 1199/4885RORC 1274/4885

“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.