SCHEMBL3621031

SCHEMBL3621031

[CH2]c1cn(CC)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 2/20 0.46
BRCA1 P38398 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP19A1 P11511 1/20 0.45
TBXAS1 P24557 1/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.44
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40

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
SCHEMBL8612789 0.85 CNR2 (0.50) ALDH1A1POLB
SCHEMBL7712109 0.80 CDC25A (0.56)
SCHEMBL8186050 0.80 ASH1L (0.47) NR4A2KMT2AMEN1MAPTALDH1A1
SCHEMBL8613303 0.79 MGAM (0.48) KMT2AALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL27556048 0.79 NR4A2 (0.36) NR4A2KMT2AMEN1MAPTBRCA1
SCHEMBL8088590 0.78 MEN1 (0.51) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL10396791 0.78 NR4A2 (0.51) NR4A2KMT2AMEN1MAPTBRCA1
SCHEMBL665932 0.78 MEN1 (0.56) NR4A2KMT2AMEN1MAPTBRCA1
SCHEMBL8527695 0.77 KMT2A (0.40) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL8181053 0.77 CYP19A1 (0.54) NR4A2KMT2AMEN1MAPTBRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143932-A FOR EFFECTING ANALGESIA, A DECREASE IN THE POSTPRANDIAL RISE IN THE BLOOD GLUCOSE LEVELS OF A MAMMAL AFTER INGESTION OF A CARBOHYDRATE LOAD BY SAID MAMMAL, AND TREATING MICROBIAL INFECTIONS TREGA BIOSCIENCES, INC. (US) 2000-11-07 US claimed
EP-0890101-A4 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INST (US) 1999-12-08 EP claimed
EP-0890101-A1 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1999-01-13 EP claimed
US-5859190-A SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES TREGA BIOSCIENCES, INC. (US) 1999-01-12 US claimed
EP-0457195-B1 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1998-04-15 EP claimed
WO-1997033174-A1 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-09-12 WO claimed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US claimed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US claimed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US claimed
CN-1057269-A Peptide compounds and preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1991-12-25 CN claimed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP claimed
CN-102369018-B Treatment of diabetes and metabolic syndrome 关键生物科学有限公司 2016-08-03 CN disclosed
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
EP-1761485-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering AG (DE) 2007-03-14 EP disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 US disclosed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US disclosed
EP-0552489-A2 Peptide, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 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 (1 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-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS NR4A2 4806/4885KMT2A 4394/4885MEN1 2665/4885

“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.