SCHEMBL291003

SCHEMBL291003

[CH2]c1nncc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ GOT1 P17174 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MPO P05164 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ MAOA P21397 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ THPO P40225 1/20 0.52
▸ AOX1 Q06278 1/20 0.52
▸ ACOX1 Q15067 1/20 0.52
▸ MAPT P10636 3/20 0.50
▸ BLM P54132 1/20 0.50

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
SCHEMBL1673296 0.76 KDM4E (0.55) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL30523852 0.76 KDM4E (0.55) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL17295055 0.74 NPC1 (0.53) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL4043088 0.73 KDM4E (0.52) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL18630480 0.73 KDM4E (0.52) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL276918 0.73 LMNA (0.52) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL4043089 0.73 KDM4E (0.52) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL291004 0.73 LMNA (0.52) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL600018 0.73 KDM4E (0.57) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL15835530 0.73 KDM4E (0.52) KDM4ENPC1RAB9ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5240924-A Dipeptide hypotensives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 — — US claimed
EP-0201221-B1 6-(1-ACYL-1-HYDROXY METHYL) PENICILLANIC ACID DERIVATIVES PFIZER INC. (US) 1990-08-01 — — EP claimed
US-4762921-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1988-08-09 — — US claimed
US-4675186-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1987-06-23 — — US claimed
EP-0201221-A1 6-(1-acyl-1-hydroxy methyl) penicillanic acid derivatives PFIZER INC. (US) 1986-11-12 — — EP claimed
CN-86102736-A The preparation method and the application thereof of 6-(1-acyl group-1-methylol) penicillanic acid derivative — 1986-10-15 — — CN claimed
EP-3131897-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-06-15 — — EP disclosed
EP-3131896-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2019-01-30 — — EP disclosed
US-9969724-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-15 — — US disclosed
US-9808445-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 — — US disclosed
US-20170129880-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME LLC 2017-05-11 — — US disclosed
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 — — EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 — — US disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 — — EP disclosed
EP-0201221-B1 6-(1-ACYL-1-HYDROXY METHYL) PENICILLANIC ACID DERIVATIVES PFIZER INC. (US) 1990-08-01 — — EP disclosed
CN-1003712-B Process for preparing 6- (1-acyl-1-hydroxymethyl or acetoxymethyl) penicillanic acid derivatives 美国辉瑞有限公司 1989-03-29 — — CN disclosed
US-4762921-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1988-08-09 — — US disclosed
US-4675186-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1987-06-23 — — US disclosed
EP-0201221-A1 6-(1-acyl-1-hydroxy methyl) penicillanic acid derivatives PFIZER INC. (US) 1986-11-12 — — EP disclosed
CN-86102736-A The preparation method and the application thereof of 6-(1-acyl group-1-methylol) penicillanic acid derivative — 1986-10-15 — — CN 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 (2 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-20170129880-A1 FACTOR IXa INHIBITORS F9, F12, TFPI KDM4E 837/4885NPC1 2231/4885RAB9A 771/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885NPC1 2338/4885RAB9A 1242/4885

“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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