SCHEMBL18074915

SCHEMBL18074915

[N-]=[N+]=Nc1ccc(COCc2ccc(N=[N+]=[N-])cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP51A1 Q16850 4/20 0.45
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ PTGS2 P35354 4/20 0.38
▸ SMO Q99835 2/20 0.35
▸ DNM1 Q05193 1/20 0.35
▸ PSMB8 P28062 1/20 0.34
▸ NOX1 Q9Y5S8 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN3A Q9NY46 1/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PTPN6 P29350 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
SCHEMBL26048600 0.88 PTGS2 (0.41) CYP51A1CA1CA2CA5ACA9
SCHEMBL23157402 0.83 IDO1 (0.48) CYP51A1CA1CA2CA5ACA9
SCHEMBL22683759 0.83 CYP51A1 (0.42) CYP51A1CA1CA2CA5ACA9
SCHEMBL30874461 0.79 CYP51A1 (0.49) CYP51A1CA1CA2CA5ACA9
SCHEMBL15590856 0.79 CYP51A1 (0.49) CYP51A1CA1CA2CA5ACA9
SCHEMBL16288084 0.79 CA1 (0.41) CYP51A1CA1CA2CA5ACA9
SCHEMBL16288086 0.79 CA1 (0.41) CYP51A1CA1CA2CA5ACA9
SCHEMBL16748959 0.78 CA1 (0.58) CYP51A1CA1CA2CA5ACA9
SCHEMBL23150490 0.76 TSHR (0.40) TSHRNOX1
SCHEMBL23157115 0.76 TP53 (0.42) CYP51A1CA1CA2CA5ACA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021216722-A1 STEREOSELECTIVE PROCESS OF MANUFACTURE OF PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2021-10-28 — — WO claimed
EP-4604951-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES DERIVATIVES AND USE THEREOF AMIRA THERAPEUTICS, S.L. (ES) 2025-08-27 — — EP disclosed
US-12006311-B2 Compounds for use in preventing or treating cancer FUNDACIÓ HOSPITAL UNIVERSITARI VALL D'HEBRONINSTITUT DE RECERCA (ES) 2024-06-11 — — US disclosed
WO-2024083861-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES DERIVATIVES AND USE THEREOF SELABTEC SCIENCES, SLU (ES) 2024-04-25 — — WO disclosed
EP-4356909-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES DERIVATIVES AND USE THEREOF Selabtec Sciences, SLU (ES) 2024-04-24 — — EP disclosed
EP-3271468-B1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES LABORATORIO TECNICO DE SEGURIDAD Y ESTANDARIZACION SL (ES) 2022-12-14 — — EP disclosed
EP-3813832-B1 COMPOUNDS FOR USE IN PREVENTING OR TREATING CANCER FUNDACIO HOSPITAL UNIV VALL DHEBRON INSTITUT DE RECERCA (ES) 2022-11-09 — — EP disclosed
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 — — US disclosed
CN-107849594-B Deamination of organophosphorus nucleosides 科技学专业学院有限公司 2022-01-18 — — CN disclosed
US-20210230150-A1 COMPOUNDS FOR USE IN PREVENTING OR TREATING CANCER AMIRA THERAPEUTICS, S.L. (ES) 2021-07-29 — — US disclosed
EP-3813832-A1 COMPOUNDS FOR USE IN PREVENTING OR TREATING CANCER Fundació Hospital Universitari Vall d'Hebron - Institut de Recerca (ES) 2021-05-05 — — EP disclosed
US-20180066295-A1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES LABORATORIO TECNICO DE SEGURIDAD Y ESTANDARIZACION, S.L.U. (ES) 2018-03-08 — — US disclosed
EP-3271468-A1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES Institut Univ. de Ciència i Tecnologia, S.A. (ES) 2018-01-24 — — EP disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 — — US disclosed
WO-2016146808-A1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES INSTITUT UNIV. DE CIÈNCIA I TECNOLOGIA, S. A. (ES) 2016-09-22 — — 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 (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-20210230150-A1 COMPOUNDS FOR USE IN PREVENTING OR TREATING CANCER UGT1A3, UGT1A1, UGT1A6 CYP51A1 152/4885CA1 1027/4885CA2 1624/4885
US-12006311-B2 Compounds for use in preventing or treating cancer UGT1A3, UGT1A1, UGT1A6 CYP51A1 152/4885CA1 1027/4885CA2 1624/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 CYP51A1 591/4885CA1 3481/4885CA2 4828/4885
US-20180066295-A1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES ADA, CDA, DCTD CYP51A1 626/4885CA1 1878/4885CA2 1256/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 CYP51A1 591/4885CA1 3481/4885CA2 4828/4885

“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.

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