SCHEMBL340261

SCHEMBL340261

NCc1cc2ncc(C(=O)N3CCN(C(=O)c4ccco4)CC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2C9 P11712 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 2/20 0.52
MEN1 O00255 1/20 0.52
CYP2D6 P10635 1/20 0.52
HPGD P15428 1/20 0.52
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 4/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 3/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL338672 0.86 DPP4 (0.49) ALDH1A1SMN1; SMN2KMT2ACYP1A2MEN1
SCHEMBL339827 0.86 DPP4 (0.43) KMT2AMEN1TP53TSHRALOX15
SCHEMBL339904 0.86 ALPL (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL340329 0.84 KDM4E (0.45) KMT2AMEN1GAAMAPTTSHR
SCHEMBL340135 0.84 DPP4 (0.42) TSHR
SCHEMBL339770 0.84 PIK3CA (0.44) KMT2AMEN1NPC1RAB9A
SCHEMBL339964 0.84 DPP4 (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL340178 0.83 DPP4 (0.42) KMT2AMEN1NPC1RAB9A
SCHEMBL1911458 0.83 DPP4 (0.41) SMN1; SMN2KMT2AMEN1HPGDTP53
SCHEMBL339040 0.83 DPP4 (0.53) ALDH1A1

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 9 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-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
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
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 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 (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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC ALDH1A1 480/4885SMN1; SMN2 1926/4885CYP2C19 193/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC ALDH1A1 480/4885SMN1; SMN2 1926/4885CYP2C19 193/4885

“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.