SCHEMBL1911244

SCHEMBL1911244

CSc1ccc(NC(=O)N[C@@H]2CCN(C)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.61
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
USP30 Q70CQ3 2/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSC P53634 1/20 0.47
RECQL P46063 1/20 0.47
POLB P06746 1/20 0.47
EPHX2 P34913 7/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NOX1 Q9Y5S8 1/20 0.46

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
SCHEMBL359516 1.00 SIGMAR1 (0.61) SIGMAR1MEN1KMT2AUSP30CTSL
SCHEMBL360013 0.85 MAPT (0.56) SIGMAR1MEN1KMT2APOLBEPHX2
SCHEMBL1911231 0.85 EPHX2 (0.62) MEN1KMT2AUSP30CTSLCTSB
SCHEMBL24381758 0.84 MEN1 (0.67) MEN1KMT2AUSP30CTSLCTSB
SCHEMBL356730 0.83 CTSL (0.65) KMT2AUSP30CTSLCTSBCTSS
SCHEMBL1908655 0.81 EPHX1 (0.61) MEN1KMT2AUSP30CTSLCTSB
SCHEMBL12086274 0.81 USP30 (0.50) MEN1KMT2AUSP30CTSLCTSB
SCHEMBL359016 0.81 EPHX1 (0.64) MEN1KMT2AUSP30CTSLCTSB
SCHEMBL2752680 0.80 EPHX1 (0.68) SIGMAR1MEN1KMT2AEPHX2RAB9A
SCHEMBL359836 0.80 CA12 (0.66) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 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 (3 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 SIGMAR1 134/4885MEN1 332/4885KMT2A 4190/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 SIGMAR1 134/4885MEN1 332/4885KMT2A 4190/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 SIGMAR1 134/4885MEN1 332/4885KMT2A 4190/4885

“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.