SCHEMBL1672674

SCHEMBL1672674

c1ccc2c(-c3n[nH]c4ccccc34)n[nH]c2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.78
KDM4E B2RXH2 3/20 0.78
GAA P10253 2/20 0.78
ALDH1A1 P00352 2/20 0.78
TTK P33981 2/20 0.78
ALPL P05186 1/20 0.78
HPGD P15428 1/20 0.78
MAPK10 P53779 1/20 0.78
LRRK2 Q5S007 2/20 0.64
PDPK1 O15530 1/20 0.62
CYP3A4 P08684 1/20 0.62
ITK Q08881 4/20 0.60
FGFR1 P11362 1/20 0.60
FLT1 P17948 1/20 0.60
AURKA O14965 1/20 0.60
NPC1 O15118 1/20 0.59
TP53 P04637 1/20 0.59
RAB9A P51151 1/20 0.59
MAP2K4 P45985 3/20 0.58
HTR2A P28223 1/20 0.55

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
SCHEMBL30768403 0.88 ALDH1A1 (1.00) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL855531 0.88 ALDH1A1 (1.00) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL3712544 0.87 KDM4E (0.62) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL4796146 0.85 KDM4E (0.66) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL17178615 0.84 ALDH1A1 (0.92) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL1287897 0.83 LRRK2 (0.68) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL10533662 0.83 IDO1 (0.74) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL10452107 0.82 LRRK2 (0.62) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL16937122 0.81 IDO1 (0.71) IDO1KDM4EGAAALDH1A1TTK
SCHEMBL4480025 0.81 ALDH1A1 (0.71) IDO1KDM4EGAAALDH1A1TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260132123-A1 ABAD INHIBITOR COMPOUNDS UNIV COURT OF THE UNIV OF ST ANDREWS (GB) 2026-05-14 US disclosed
US-12171665-B2 Compression resistant implants including an oxysterol and methods of use WARSAW ORTHOPEDIC, INC. (US) 2024-12-24 US disclosed
US-12171909-B2 Implants having a drug load of an oxysterol and methods of use WARSAW ORTHOPEDIC, INC. (US) 2024-12-24 US disclosed
EP-4392412-A1 ABAD INHIBITOR COMPOUNDS University Court of The University of St Andrews (GB) 2024-07-03 EP disclosed
US-20230166003-A1 IMPLANTS HAVING A DRUG LOAD OF AN OXYSTEROL AND METHODS OF USE WARSAW ORTHOPEDIC, INC. (US) 2023-06-01 US disclosed
WO-2023026060-A1 ABAD INHIBITOR COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2023-03-02 WO disclosed
US-11464888-B2 Moldable formulations containing an oxysterol in an acellular tissue matrix WARSAW ORTHOPEDIC, INC. (US) 2022-10-11 US disclosed
EP-3617217-B1 PROCESS FOR THE PRODUCTION OF OXYSTEROLS WARSAW ORTHOPEDIC INC (US) 2022-09-07 EP disclosed
US-11384114-B2 Polymorphic forms of an oxysterol and methods of making them WARSAW ORTHOPEDIC, INC. (US) 2022-07-12 US disclosed
EP-3827833-B1 METHODS FOR THE SEPARATION AND DETECTION OF AN OXYSTEROL WARSAW ORTHOPEDIC INC (US) 2022-06-15 EP disclosed
US-6811979-B2 NUCLEOTIDE DERIVATIVE FOR USE IN SEQUENCE DETERMINATION OF NUCLEIC ACID MOLECULE APPLERA CORPORATION 2004-11-02 US disclosed
EP-1141137-B1 WATER-SOLUBLE RHODAMINE DYES AND CONJUGATES THEREOF APPLERA CORP (US) 2003-10-08 EP disclosed
EP-1317464-A2 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS Applera Corporation (US) 2003-06-11 EP disclosed
US-20030055257-A1 Water-soluble rhodamine dye conjugates APPLERA CORPORATION (US) 2003-03-20 US disclosed
US-20020102590-A1 Fluorescent nucleobase conjugates having anionic linkers PE CORPORATION (NY) (US) 2002-08-01 US disclosed
WO-2002030944-A2 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS APPLERA CORPORATION (US) 2002-04-18 WO disclosed
US-6372907-B1 LABELLED RHODAMINE DYE-POLYPEPTIDE CONJUGATE, OR SALT THEREOF, COMPRISING RHODAMINE-TYPE PARENT XANTHENE RING SUBSTITUTED AT XANTHENE C-9 CARBON WITH SUBSTITUTED PHENYL RING APPTERA CORPORATION 2002-04-16 US disclosed
EP-1141137-A1 WATER-SOLUBLE RHODAMINE DYES AND CONJUGATES THEREOF Applera Corporation (US) 2001-10-10 EP disclosed
WO-2001032783-A1 WATER-SOLUBLE RHODAMINE DYES AND CONJUGATES THEREOF APPLERA CORPORATION (US) 2001-05-10 WO disclosed
US-6191278-B1 COMPRISING A RHODAMINE-TYPE PARENT RING HAVING ATTACHED TO THE XANTHENE C9 CARBON A PHENYL GROUP THAT IS SUBSTITUTED WITH CARBOXY OR SULFONATE GROUP, ONE TO THREE AMINOPYRIDINIUM GROUPS AND AN ALKYL- OR ARYLTHIO, AND OPTIONALLY OTHER GROUPS PE CORPORATION 2001-02-20 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 (6 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-12171909-B2 Implants having a drug load of an oxysterol and methods of use SOST, CYP17A1, HSD17B7 IDO1 1997/4885KDM4E 416/4885GAA 2568/4885
US-20230166003-A1 IMPLANTS HAVING A DRUG LOAD OF AN OXYSTEROL AND METHODS OF USE SOST, CYP17A1, HSD17B7 IDO1 1997/4885KDM4E 416/4885GAA 2568/4885
US-20260132123-A1 ABAD INHIBITOR COMPOUNDS ADH1C, ADH1A, CBR1 IDO1 860/4885KDM4E 2890/4885GAA 2008/4885
US-11384114-B2 Polymorphic forms of an oxysterol and methods of making them HSD3B1, VKORC1L1, VKORC1 IDO1 4397/4885KDM4E 4551/4885GAA 4522/4885
US-20030055257-A1 Water-soluble rhodamine dye conjugates SLC43A3, ABCG2, TARBP1 IDO1 4594/4885KDM4E 4494/4885GAA 1611/4885
US-20020102590-A1 Fluorescent nucleobase conjugates having anionic linkers DNTT, DUT, NT5C3B IDO1 4101/4885KDM4E 1295/4885GAA 2877/4885

“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.