Sugi Predict

Sugi Predict / Compounds / SCHEMBL2550587

SCHEMBL2550587

SCHEMBL2550587

O=C(Cn1cncn1)c1ccc(Cl)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.67
▸ PKM P14618 1/20 0.67
▸ POLB P06746 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ MAPT P10636 4/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ GABRA1 P14867 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ GABRG2 P18507 1/20 0.51
▸ GABRB3 P28472 1/20 0.51
▸ CYP19A1 P11511 2/20 0.51
▸ P2RX7 Q99572 2/20 0.51
▸ HTT P42858 1/20 0.49
▸ ERCC5 P28715 1/20 0.48
▸ FEN1 P39748 1/20 0.48
▸ KDM4E B2RXH2 1/20 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
SCHEMBL410471 0.90 LMNA (0.59) LMNAPKMPOLBALDH1A1MAPT
SCHEMBL10498638 0.87 LMNA (0.57) LMNAPKMPOLBALDH1A1MAPT
SCHEMBL15326510 0.87 LMNA (0.60) LMNAPKMPOLBALDH1A1MAPT
SCHEMBL10504893 0.86 LMNA (0.52) LMNAPKMPOLBALDH1A1MAPT
SCHEMBL29622955 0.86 LMNA (0.56) LMNAPKMPOLBALDH1A1MAPT
SCHEMBL9518702 0.86 LMNA (0.56) LMNAPKMPOLBALDH1A1MAPT
SCHEMBL9714015 0.84 LMNA (0.49) LMNAPKMALDH1A1MAPTTSHR
SCHEMBL29110121 0.82 LMNA (0.55) LMNAPKMPOLBALDH1A1MAPT
SCHEMBL10468434 0.82 LMNA (0.60) LMNAPKMPOLBALDH1A1MAPT
SCHEMBL10468433 0.82 LMNA (0.60) LMNAPKMPOLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 — — US claimed
EP-0061789-B1 NOVEL ANTIMICROBIAL TRIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1985-10-23 — — EP claimed
EP-0061789-A1 Novel antimicrobial triazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1982-10-06 — — EP claimed
CN-113336715-B Preparation method of triazole compound containing dioxolane and intermediate thereof 山东海利尔化工有限公司 2021-11-23 — — CN disclosed
CN-113336715-A Preparation method of triazole compound containing dioxolane and intermediate thereof 山东海利尔化工有限公司 2021-09-03 — — CN disclosed
US-11028078-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-08 — — US disclosed
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-02-07 — — US disclosed
US-20180194742-A1 Antifungal Compounds UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-07-12 — — US disclosed
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF UNIV JOHNS HOPKINS (US) 2016-09-15 — — US disclosed
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF UNIV JOHNS HOPKINS (US) 2016-09-15 — — US disclosed
US-9346791-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-24 — — US disclosed
US-4357338-A Combating fungi with 1-phenyl-1-oximino-2-(1,2,4-triazol-1-yl)-ethanes BAYER AKTIENGESELLSCHAFT (DE) 1982-11-02 — — US disclosed
EP-0061789-A1 Novel antimicrobial triazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1982-10-06 — — EP disclosed
EP-0044605-A1 Fungicidal bis-azolyl compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-01-27 — — EP disclosed
US-4309434-A Combating fungi with 1-(2-chlorophenyl)-1-(2-chlorobenzyloximino)-2-(1,2,4-triazol-1-yl)-ethane BAYER AKTIENGESELLSCHAFT (DE) 1982-01-05 — — US disclosed
EP-0015456-B1 OMEGA-HALOGENO-ACETOPHENONE OXIME ETHERS, PREPARATION THEREOF AND THEIR USE AS INTERMEDIATES IN THE PREPARATION OF OMEGA-AZOLYL-ACETOPHENONE OXIME ETHERS BAYER AG (DE) 1981-12-02 — — EP disclosed
EP-0040367-A1 Substituted phenyl-triazolyl-vinyl ketones, process for their preparation and their application as fungicides BAYER AG (DE) 1981-11-25 — — EP disclosed
US-4293715-A FUNGICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 — — US disclosed
US-4264772-A Combating fungi with 1-phenyl-1-oximino-2-(1,2,4-triazol-1-yl)-ethanes BAYER AKTIENGESELLSCHAFT (DE) 1981-04-28 — — US disclosed
EP-0004917-A1 Oximino-triazolyl ethanes, process for their preparation and their use as fungicides BAYER AG (DE) 1979-10-31 — — 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 (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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 LMNA 1331/4885PKM 1325/4885POLB 823/4885
US-20180194742-A1 Antifungal Compounds ERG28, DPM1, CYP51A1 LMNA 2515/4885PKM 2572/4885POLB 2040/4885
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR LMNA 4868/4885PKM 4437/4885POLB 4814/4885
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR LMNA 4868/4885PKM 4437/4885POLB 4814/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR LMNA 4868/4885PKM 4437/4885POLB 4814/4885

“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.