SCHEMBL507550

SCHEMBL507550

N#Cc1cccc2sccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
SLC9A1 P19634 2/20 0.39
CYP2A6 P11509 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PNMT P11086 1/20 0.33
CYP19A1 P11511 1/20 0.33
TBXAS1 P24557 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
Hydrochloric Acid SCHEMBL29559243 0.98 SLC9A1 (0.38) HTTSLC9A1CYP2A6ADRA2AADRA2B
SCHEMBL96020 0.79 ADRA2A (0.38) CYP2A6ADRA2AADRA2BHTR1ADRD2
SCHEMBL1062508 0.72 CYP2A6 (0.56) CYP2A6CA1CA2TSHRMAPT
SCHEMBL35430448 0.72 CYP2A6 (0.56) CYP2A6CA1CA2TSHRMAPT
SCHEMBL45954 0.71 CA1 (0.54) HTTCA1CA2ALDH1A1TSHR
SCHEMBL29489124 0.71 CA1 (0.54) HTTCA1CA2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL29915059 0.71 CYP2A6 (0.55) CYP2A6CA1CA2MAPTIMPDH2
SCHEMBL3789708 0.71 TRPA1 (0.46) HTTCYP2A6ADRA2AADRA2BALDH1A1
SCHEMBL18879651 0.71 KDM4E (0.38) CYP2A6ALDH1A1TSHRKDM4EGAA
SCHEMBL2264338 0.71 CYP19A1 (0.43) CYP2A6ADRA2AADRA2BALDH1A1CYP19A1

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 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES Clear Creek Bio, Inc. (US) 2025-01-23 US disclosed
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed
CN-110286112-B Raman probe and preparation method and application thereof 上海交通大学 2022-01-14 CN disclosed
US-10294212-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2019-05-21 US disclosed
CN-109678755-A It is a kind of using formamide as the preparation method of the fragrant nitrile in cyanogen source 湘潭大学 2019-04-26 CN disclosed
EP-2970173-B1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD (IN) 2018-05-09 EP disclosed
US-20180030026-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PVT LTD 2018-02-01 US disclosed
US-20180030026-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PVT LTD 2018-02-01 US disclosed
US-9815811-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2017-11-14 US disclosed
US-9815811-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2017-11-14 US disclosed
EP-0902013-B1 Novel amidine derivatives, their preparation and their use as medicaments with LTB-4 antagonistic effect BOEHRINGER INGELHEIM INT (DE) 2001-12-12 EP disclosed
WO-2001068653-A1 DIHYDROIMIDAZO[2,1-B]THIAZOLE AND DIHYDRO-5H-THIAZOLO[3,2-A]PYRIMIDINES AS ANTIDEPRESSANT AGENTS KNOLL GMBH (DE) 2001-09-20 WO disclosed
EP-1067128-A1 FUSED THIOPHENE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP disclosed
US-6037377-A ANTIINFLAMMATORY AGENTS AND ANTIALLERGENS BOEHRINGER INGELHEIM KG (DE) 2000-03-14 US disclosed
EP-0625138-B1 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS WITH LTB4 ANTAGONISTIC EFFECT BOEHRINGER INGELHEIM INT (DE) 1999-06-02 EP disclosed
EP-0902013-A1 Novel amidine derivatives, their preparation and their use as medicaments with LTB-4 antagonistic effect BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1999-03-17 EP disclosed
EP-0625138-A1 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDIAMENTS WITH LTB-4 ANTAGONISTIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1994-11-23 EP disclosed
US-5340833-A Antiarthritic, antiinflammatory, antitumor agents EISAI CO., LTD. (JP) 1994-08-23 US disclosed
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 EP disclosed
WO-1993016036-A1 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDIAMENTS WITH LTB-4 ANTAGONISTIC EFFECT BOEHRINGER INGELHEIM KG (DE) 1993-08-19 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 (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-10294212-B2 Inhibitors of the kynurenine pathway IDO1, IDO2, KYNU HTT 2003/4885SLC9A1 1958/4885CYP2A6 132/4885
US-20180030026-A1 INHIBITORS OF THE KYNURENINE PATHWAY IDO1, IDO2, KYNU HTT 2003/4885SLC9A1 1958/4885CYP2A6 132/4885
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES ACE, PREP, PEPD HTT 2553/4885SLC9A1 3764/4885CYP2A6 1756/4885

“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.