SCHEMBL2162703

SCHEMBL2162703

CN(C)/C=C/C(=O)c1ccc(C#N)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.62
LMNA P02545 6/20 0.62
RAB9A P51151 5/20 0.62
HPGD P15428 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 2/20 0.62
RECQL P46063 2/20 0.62
ALOX12 P18054 1/20 0.62
ALDH1A1 P00352 10/20 0.58
HTT P42858 3/20 0.57
NPC1 O15118 3/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 1/20 0.54
HSP90AA1 P07900 1/20 0.54
P4HB P07237 1/20 0.54
GAA P10253 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL2162706 1.00 MAPT (0.62) MAPTLMNARAB9AHPGDCYP1A2
SCHEMBL23251385 0.85 MAPT (0.81) MAPTLMNARAB9AHPGDCYP1A2
SCHEMBL30440633 0.81 MAPT (0.61) MAPTLMNARAB9AHPGDCYP1A2
SCHEMBL99553 0.81 MAPT (0.61) MAPTLMNARAB9AHPGDCYP1A2
SCHEMBL31339149 0.81 MAPT (0.61) MAPTLMNARAB9AHPGDCYP1A2
SCHEMBL99552 0.81 MAPT (0.61) MAPTLMNARAB9AHPGDCYP1A2
SCHEMBL6758083 0.80 P4HB (0.58) MAPTLMNAHPGDALDH1A1HTT
SCHEMBL12914243 0.78 MAPT (0.70) MAPTLMNARAB9AHPGDCYP1A2
SCHEMBL1186588 0.78 MAPT (0.70) MAPTLMNARAB9AHPGDCYP1A2
SCHEMBL7364598 0.78 MAPT (0.70) MAPTLMNARAB9AHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396145-A Preparation method of 9-phenanthrene phenol compound 西北工业大学 2023-07-07 CN claimed
CN-118834161-A Preparation method of 3-sulfonyl-5-acetyl-1, 4 dihydropyridine compound 西北工业大学 2024-10-25 CN disclosed
CN-107531698-B Fused bicyclic heteroaryl derivatives having activity as PHD inhibitors 武田药品工业株式会社 2024-08-13 CN disclosed
CN-115215796-B Synthesis method of 3-acyl quinoline compound 江南大学 2023-10-27 CN disclosed
CN-116396145-A Preparation method of 9-phenanthrene phenol compound 西北工业大学 2023-07-07 CN disclosed
CN-115215796-A Synthetic method of 3-acyl quinoline compound 江南大学 2022-10-21 CN disclosed
US-10287286-B2 Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-14 US disclosed
US-10287286-B2 Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-14 US disclosed
US-20180072714-A1 Novel Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 US disclosed
US-20180072714-A1 Novel Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 US disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 US disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 US disclosed
US-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-09-04 US disclosed
US-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-09-04 US disclosed
WO-2007028132-A2 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US disclosed
EP-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 EP disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 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 (4 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-20180072714-A1 Novel Compounds F12, HAX1, C1S MAPT 3180/4885LMNA 2207/4885RAB9A 1423/4885
US-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR3B, HTR1A MAPT 4671/4885LMNA 3624/4885RAB9A 1812/4885
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DDT, ACHE, NANP MAPT 2297/4885LMNA 3912/4885RAB9A 371/4885
US-10287286-B2 Compounds F12, C1S, F3 MAPT 3405/4885LMNA 2004/4885RAB9A 1768/4885

“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.