SCHEMBL450730

SCHEMBL450730

Nc1cc[n+]([O-])c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 3/20 0.46
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
ACHE P22303 2/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KEAP1 Q14145 1/20 0.38
MAPT P10636 2/20 0.37
MITF O75030 1/20 0.37
PRKCA P17252 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL1261956 0.85 ALDH1A1 (0.48) CHKACSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL6827498 0.76 MAPT (0.38) ACHEMAPTMITFKDM4ENPC1
SCHEMBL2795974 0.74 CYP2A6 (0.44) TSHRMAPTMITFLMNACYP1A2
SCHEMBL1770982 0.74 MAPT (0.39) ACHEALDH1A1MAPTMITFKDM4E
SCHEMBL13829247 0.74 RAB9A (0.50) CHKAACHEMAPTHTTRAB9A
SCHEMBL5784218 0.74 MAPT (0.53) ACHEALDH1A1MAPTMITFKDM4E
SCHEMBL7155648 0.74 MITF (0.37) ACHEMAPTMITFLMNAHTT
SCHEMBL1193736 0.74 IDO1 (0.44) CSNK2A2CSNK2BCSNK2A1ALDH1A1CYP3A4
SCHEMBL10647924 0.74 MAPT (0.38) CHKAACHEALDH1A1TDP1MAPT
SCHEMBL15313372 0.71 ATM (0.44) ALDH1A1TSHRHSD17B10HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200345737-A1 SYK KINASE INHIBITORS AS TREATMENT FOR MALARIA PURDUE RESEARCH FOUNDATION 2020-11-05 US claimed
EP-2234642-B1 METHOD OF INCREASING IMMUNOLOGICAL EFFECT IRX THERAPEUTICS INC (US) 2017-09-27 EP claimed
EP-1998811-B1 IMMUNOTHERAPY FOR IMMUNE SUPPRESSED PATIENTS IRX THERAPEUTICS INC (US) 2012-10-17 EP claimed
EP-1558254-B1 USE OF 4-AMINOQUINOLINES COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS OF THE EYE RAUT RAJEEV (IN) 2010-12-15 EP claimed
US-7731945-B2 Administering an exogenous antigen and an adjuvant of a NCM+thymosin alpha 1; inducing production of naive T cells and restoring T cell immune response; treating a cancer in a severely immune suppressed patient IMMUNO-RX, INC. (US) 2010-06-08 US claimed
EP-1558254-A2 A PROCESS FOR PREPARING PHARMACEUTICAL COMPOSITIONS CONTAINING 4-AMINOQUINOLINES COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS OF THE EYE, COMPOSITIONS RESULTING THEREFROM Raut, Rajeev (IN) 2005-08-03 EP claimed
EP-0789588-B1 METHOD FOR MAKING A MEDICAMENT FOR TREATING SECONDARY IMMUNODEFICIENCY UNIV SOUTH FLORIDA (US) 2005-01-19 EP claimed
WO-2003097025-A2 A PROCESS FOR PREPARING PHARMACEUTICAL COMPOSITIONS CONTAINING 4-AMINOQUINOLINES COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS OF THE EYE AND COMPOSITIONS RESULTING THEREFROM RAUT RAJEEV (IN) 2003-11-27 WO claimed
US-20030216431-A1 Ophthalmic pharmaceutical compositions and methods for treating ocular inflammation RAUT RAJEEV (IN) 2003-11-20 US claimed
EP-0789588-A4 METHOD FOR MAKING A MEDICAMENT FOR TREATING SECONDARY IMMUNODEFICIENCY UNIV SOUTH FLORIDA (US) 2001-11-28 EP claimed
US-5698194-A CYTOKINE MIXTURE CONTAINING INTERLEUKINS UNIVERSITY OF SOUTH FLORIDA (US) 1997-12-16 US claimed
EP-0789588-A1 METHOD FOR MAKING A MEDICAMENT FOR TREATING SECONDARY IMMUNODEFICIENCY UNIVERSITY OF SOUTH FLORIDA (US) 1997-08-20 EP claimed
WO-1996015808-A1 METHOD FOR MAKING A MEDICAMENT FOR TREATING SECONDARY IMMUNODEFICIENCY UNIVERSITY OF SOUTH FLORIDA (US) 1996-05-30 WO claimed
US-20250099488-A1 ANTI-PARASITE COMPOUNDS AUSTRALIAN NATIONAL UNIVERSITY (AU) 2025-03-27 US disclosed
EP-4469058-A1 ANTI-PARASITE COMPOUNDS Australian National University (AU) 2024-12-04 EP disclosed
CN-114989082-B Efficient preparation method of hydroxychloroquine based on synergistic catalysis of I-valent copper compound and trisubstituted phosphine 华东理工大学 2024-06-21 CN disclosed
WO-1996015808-A1 METHOD FOR MAKING A MEDICAMENT FOR TREATING SECONDARY IMMUNODEFICIENCY UNIVERSITY OF SOUTH FLORIDA (US) 1996-05-30 WO disclosed
US-4767698-A PHOTOSTABILITY, HEAT RESISTANCE AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1988-08-30 US disclosed
US-4057633-A ANTIANXIETY, HYPOTENSIVE THE UPJOHN COMPANY (US) 1977-11-08 US disclosed
US-3992382-A HYPERTENSION AND ANXIETY TREATMENT THE UPJOHN COMPANY (US) 1976-11-16 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 (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-20250099488-A1 ANTI-PARASITE COMPOUNDS TUBA3C, CFAP20, CFAP410 CHKA 1911/4885CSNK2A2 4158/4885CSNK2B 4305/4885
US-20030216431-A1 Ophthalmic pharmaceutical compositions and methods for treating ocular inflammation IL5, IL1B, IL4 CHKA 846/4885CSNK2A2 598/4885CSNK2B 647/4885
US-20200345737-A1 SYK KINASE INHIBITORS AS TREATMENT FOR MALARIA SYK, BTK, MERTK CHKA 51/4885CSNK2A2 950/4885CSNK2B 1131/4885

“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.