SCHEMBL14513499

SCHEMBL14513499

CCc1ccccc1Sc1ccccc1CNC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IFNAR1 P17181 1/20 0.65
SLC6A4 P31645 7/20 0.63
SLC6A2 P23975 6/20 0.63
SLC6A3 Q01959 5/20 0.55
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
RECQL P46063 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
G6PD P11413 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
CCR6 P51684 1/20 0.52
MCL1 Q07820 1/20 0.52
HKDC1 Q2TB90 1/20 0.52

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
SCHEMBL74169 0.85 SLC6A2 (0.47) IFNAR1SLC6A4SLC6A2SLC6A3SMN1; SMN2
SCHEMBL11630699 0.83 IFNAR1 (0.68) IFNAR1SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL12728085 0.81 SLC6A4 (0.68) IFNAR1SLC6A4SLC6A2SLC6A3MEN1
Hydrochloric Acid SCHEMBL11635394 0.81 IFNAR1 (0.66) IFNAR1SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL11753290 0.81 SLC6A4 (0.69) IFNAR1SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL1399400 0.80 IFNAR1 (0.58) IFNAR1SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL752552 0.79 IFNAR1 (0.58) IFNAR1SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL3400989 0.79 SLC6A4 (0.50) IFNAR1SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL30996076 0.79 IFNAR1 (1.00) IFNAR1SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL27635780 0.79 KMT2A (0.61) IFNAR1SLC6A4SLC6A2SLC6A3MEN1

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-20070117154-A1 Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) 2007-05-24 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-20070117154-A1 Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents F2, BCAT1, DAO IFNAR1 2766/4885SLC6A4 4470/4885SLC6A2 4673/4885

“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.