SCHEMBL20809397

SCHEMBL20809397

CCC(=S)Nc1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.56
DHODH Q02127 2/20 0.50
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
ABCC9 O60706 3/20 0.47
KCNJ11 Q14654 3/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
NLRP3 Q96P20 1/20 0.46
PKM P14618 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
IL18 Q14116 1/20 0.45
CYP2A6 P11509 1/20 0.44

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
SCHEMBL21870896 0.86 IDO1 (0.53) IDO1DHODHSAE1UBA2ABCC9
SCHEMBL20941546 0.79 IDO1 (0.53) IDO1SAE1UBA2MAPTLMNA
SCHEMBL11072625 0.79 IDO1 (0.62) IDO1DHODHSAE1UBA2MAPT
SCHEMBL9726904 0.79 IDO1 (0.61) IDO1DHODHSAE1UBA2ABCC9
SCHEMBL5449567 0.78 IDO1 (0.78) IDO1DHODHSAE1UBA2ABCC9
SCHEMBL14266363 0.78 SAE1 (0.57) SAE1UBA2MAPTLMNATSHR
SCHEMBL11063407 0.77 CYP2A6 (0.63) IDO1DHODHSAE1UBA2MAPT
SCHEMBL22046676 0.76 TAS2R38 (0.56) MAPTHTTKMT2AKDM4EMAPK1
SCHEMBL21870897 0.76 IDO1 (0.50) IDO1DHODHSAE1UBA2ABCC9
SCHEMBL23866977 0.76 IDO1 (0.58) IDO1DHODHSAE1UBA2ABCC9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046670-B2 Piperazinyl norbenzomorphan compounds and methods for using the same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-29 US disclosed
US-10954217-B2 Sigma receptor binders BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-03-23 US disclosed
US-10450275-B2 Compounds and methods for treating cancer, neurological disorders, ethanol withdrawal, anxiety, depression, and neuropathic pain BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-10-22 US disclosed
US-20190177301-A1 SIGMA RECEPTOR BINDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-06-13 US disclosed
US-20190077789-A1 PIPERAZINYL NORBENZOMORPHAN COMPOUNDS AND METHODS FOR USING THE SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-03-14 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 (5 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-20190077789-A1 PIPERAZINYL NORBENZOMORPHAN COMPOUNDS AND METHODS FOR USING THE SAME GAP43, NCDN, NLN IDO1 3037/4885DHODH 819/4885SAE1 4869/4885
US-11046670-B2 Piperazinyl norbenzomorphan compounds and methods for using the same GAP43, NCDN, NLN IDO1 3037/4885DHODH 819/4885SAE1 4869/4885
US-10954217-B2 Sigma receptor binders SIGMAR1, OPRK1, OPRL1 IDO1 3255/4885DHODH 3670/4885SAE1 2417/4885
US-20190177301-A1 SIGMA RECEPTOR BINDERS SIGMAR1, OPRK1, OPRL1 IDO1 3255/4885DHODH 3670/4885SAE1 2417/4885
US-10450275-B2 Compounds and methods for treating cancer, neurological disorders, ethanol withdrawal, anxiety, depression, and neuropathic pain ELAVL1, ADH1A, NGF IDO1 1771/4885DHODH 2111/4885SAE1 2498/4885

“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.