SCHEMBL18893133

SCHEMBL18893133

CSSCc1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.47
▸ DAO P14920 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ GSK3B P49841 2/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ CDC7 O00311 1/20 0.43
▸ DBF4 Q9UBU7 1/20 0.43
▸ CTSB P07858 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ SLC6A2 P23975 1/20 0.41

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
SCHEMBL4935305 0.85 GLA (0.50) GLADAOTP53GSK3BGSK3A
SCHEMBL28448952 0.81 DAO (0.51) GLADAOTP53GSK3BGSK3A
SCHEMBL18896283 0.78 DAO (0.49) GLADAOTP53GSK3BGSK3A
SCHEMBL19965710 0.77 CYP2A6 (0.54) DAOALDH1A1MAPTTSHRHTT
SCHEMBL126485 0.75 CYP2A6 (0.56) GLAALDH1A1CYP19A1CYP11B1CYP11B2
SCHEMBL25798171 0.75 IDO1 (0.46) GLADAOTP53GSK3BGSK3A
SCHEMBL2153847 0.74 HRH3 (0.59) GLADAOGSK3BALDH1A1TSHR
SCHEMBL2154019 0.74 GLA (0.53) GLAGSK3BMEN1ALDH1A1TSHR
SCHEMBL5697547 0.74 DAO (0.46) GLADAOTP53GSK3BGSK3A
SCHEMBL5090668 0.72 GLA (0.51) GLADAOGSK3BALDH1A1TSHR

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-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 — — 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-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 GLA 1546/4885DAO 4215/4885TP53 4790/4885

“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.

Send feedback