SCHEMBL661697

SCHEMBL661697

O=C(CN1C=CCC(c2cc(Cc3cccc4ccccc34)n[nH]2)=C1)c1cccs1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
PARP1 P09874 1/20 0.33
NPY5R Q15761 1/20 0.33
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL297066 0.86 SMN1; SMN2 (0.37) MAPTGAAHTTHPGDALDH1A1
SCHEMBL298287 0.85 PARG (0.34) MAPTGAAHTTPARP1LMNA
SCHEMBL298661 0.80 KMT2A (0.37) MAPTGAAHTTLMNAALDH1A1
SCHEMBL297726 0.79 MAPT (0.38) MAPTLMNAALDH1A1KDM4EMAPK1
SCHEMBL299464 0.77 KMT2A (0.35) MAPTPARP1LMNAHPGDALDH1A1
SCHEMBL660685 0.68 ALDH1A1 (0.40) MAPTGAALMNAHPGDALDH1A1
SCHEMBL287429 0.67 NPSR1 (0.36) MAPTGAAHTTLMNAHPGD
SCHEMBL7808911 0.66 ALDH1A1 (0.48) MAPTHTTLMNAHPGDALDH1A1
SCHEMBL298688 0.66 ALDH1A1 (0.38) MAPTLMNAHPGDALDH1A1CYP1A2
SCHEMBL660175 0.66 HRH2 (0.34) MAPTGAAHTTLMNAMAPK1

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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT DAO 1352/4885MAPT 61/4885THRB 4730/4885

“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.