SCHEMBL7129816

SCHEMBL7129816

Clc1ncc(Cc2cccs2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRA1D P25100 2/20 0.40
ALDH1A1 P00352 6/20 0.39
TSHR P16473 4/20 0.37
CYP2C9 P11712 3/20 0.37
LMNA P02545 3/20 0.37
ADCY10 Q96PN6 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C19 P33261 3/20 0.36
MAPK1 P28482 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ABL1 P00519 1/20 0.36
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
APEX1 P27695 1/20 0.34

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
SCHEMBL7128318 0.75 MET (0.42) LMNACYP3A4MAPK1ALOX15HSD17B10
SCHEMBL3159683 0.74 CYP11B1 (0.44) LMNACYP3A4MAPK1APEX1
SCHEMBL7126157 0.73 CYP11B1 (0.47) KDM4ESMN1; SMN2ADRA1DALDH1A1TSHR
SCHEMBL22093967 0.72 PDE4A (0.41) KDM4ESMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL31308997 0.72 PDE4A (0.41) KDM4ESMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL6844790 0.72 PDXK (0.50) KDM4ESMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL30505689 0.71 CYP2C9 (0.50) KDM4ESMN1; SMN2ADRA1DTSHRCYP2C9
SCHEMBL7668747 0.71 LOXL2 (0.51) KDM4ESMN1; SMN2ADRA1DALDH1A1TSHR
SCHEMBL11815604 0.71 PDE4A (0.39) KDM4EALDH1A1LMNACYP3A4MAPK1
SCHEMBL646103 0.71 ABL1 (0.47) SMN1; SMN2ALDH1A1TSHRCYP2C9LMNA

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-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 KDM4E 2224/4885SMN1; SMN2 1496/4885ADRA1D 1638/4885

“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.