SCHEMBL9726904

SCHEMBL9726904

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.61
TAS2R38 P59533 1/20 0.54
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
DHODH Q02127 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
NLRP3 Q96P20 1/20 0.50
KDM1A O60341 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 2/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
IL18 Q14116 1/20 0.49
ABCC9 O60706 3/20 0.47

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
SCHEMBL1884691 0.83 IDO1 (0.67) IDO1TAS2R38MAPTLMNADHODH
SCHEMBL5449567 0.83 IDO1 (0.78) IDO1TAS2R38MAPTLMNADHODH
SCHEMBL14511451 0.82 TAS2R38 (0.75) TAS2R38MAPTTSHRHTTMEN1
SCHEMBL27309231 0.82 IDO1 (0.65) IDO1TAS2R38MAPTLMNADHODH
SCHEMBL23866977 0.80 IDO1 (0.58) IDO1MAPTLMNADHODHTSHR
SCHEMBL10514730 0.80 IDO1 (0.68) IDO1MAPTLMNADHODHTSHR
SCHEMBL1344408 0.79 KDM1A (0.71) IDO1MAPTLMNATSHRHTT
SCHEMBL1085552 0.79 IDO1 (0.52) IDO1MAPTLMNADHODHTSHR
SCHEMBL8956175 0.79 IDO1 (0.66) IDO1MAPTDHODHHTTMEN1
SCHEMBL20809397 0.79 IDO1 (0.56) IDO1MAPTLMNADHODHTSHR

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 12 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-20190077789-A1 PIPERAZINYL NORBENZOMORPHAN COMPOUNDS AND METHODS FOR USING THE SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-03-14 US disclosed
WO-2017070229-A1 PIPERAZINYL NORBENZOMORPHAN COMPOUNDS AND METHODS FOR USING THE SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-27 WO disclosed
US-20160280657-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-09-29 US disclosed
EP-2444085-B1 Diarylhydantoin compounds as androgen receptor antagonists for treatment of cancer UNIV CALIFORNIA (US) 2015-03-18 EP disclosed
US-5149814-A Alkyl 2-benzylidene-4-(2-alkylimidazopyrid-1-yl) benzoylacetate esters as intermediate compounds PFIZER INC (US) 1992-09-22 US disclosed
US-5120747-A Antiallergens, antiinflammatory agent PFIZER INC. (US) 1992-06-09 US disclosed
US-5070205-A Chemical intermediate for anticoagulants PFIZER INC. (US) 1991-12-03 US disclosed
EP-0310386-B1 4-ARYL-5-CARBAMOYL-1,4-DIHYDROPYRIDINES Pfizer Limited (GB) 1991-11-06 EP disclosed
US-5063237-A Antiallergens and antiinflammatory agents PFIZER INC. (US) 1991-11-05 US disclosed
US-4935430-A Platelet activating factor antagonists PFIZER INC. (US) 1990-06-19 US disclosed
EP-0310386-A2 4-Aryl-5-carbamoyl-1,4-dihydropyridines Pfizer Limited (GB) 1989-04-05 EP 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 (3 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 3037/4885TAS2R38 4156/4885MAPT 588/4885
US-11046670-B2 Piperazinyl norbenzomorphan compounds and methods for using the same GAP43, NCDN, NLN IDO1 3037/4885TAS2R38 4156/4885MAPT 588/4885
US-20160280657-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN ELAVL1, ADH1A, NGF IDO1 1771/4885TAS2R38 2725/4885MAPT 202/4885

“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.