SCHEMBL2294887

SCHEMBL2294887

CC(C)c1ccc(CC#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
PYCR1 P32322 1/20 0.43
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 1/20 0.37
ERBB2 P04626 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
TYR P14679 1/20 0.37
ACACB O00763 1/20 0.37
MGLL Q99685 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35

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
SCHEMBL20039982 0.86 ESR1 (0.41) IDO1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL18982972 0.84 RXRA (0.57) IDO1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL31003340 0.83 PGR (0.41) LMNAL3MBTL1KMT2ANPC1RAB9A
SCHEMBL27473073 0.83 L3MBTL1 (0.37) IDO1L3MBTL1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL31577514 0.81 ADRB2 (0.43) IDO1L3MBTL1KMT2AKDM5BESR1
SCHEMBL14370178 0.81 ALDH1A1 (0.40) L3MBTL1NPC1RAB9AESR1ESR2
SCHEMBL2154504 0.80 KMT2A (0.47) LMNAL3MBTL1KMT2ANPC1RAB9A
SCHEMBL22349666 0.79 L3MBTL1 (0.35) L3MBTL1KMT2ANPC1RAB9AKDM5B
SCHEMBL8992978 0.79 MAOB (0.42) L3MBTL1KMT2ANPC1RAB9AESR1
SCHEMBL22604441 0.78 ESR1 (0.46) LMNAL3MBTL1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
WO-2023196605-A1 INHIBITING HISTONE DEACETYLASE 6 (HDAC6) EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 WO disclosed
WO-2023196601-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 WO disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists SAINT LOUIS UNIVERSITY (US) 2023-07-25 US disclosed
US-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists SAINT LOUIS UNIVERSITY (US) 2023-07-25 US disclosed
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 US disclosed
US-20220411383-A1 AMINOPYRAZINE DERIVATIVES AS PI3K-y INHIBITORS INCYTE CORPORATION 2022-12-29 US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 US disclosed
US-4459224-A Perfume compositions as well as perfumed articles and materials containing alkyl substituted benzyl cyanides as a fragrance NAARDEN INTERNATIONAL N.V. (NL) 1984-07-10 US disclosed
EP-0047562-B1 METHOD FOR THE PRODUCTION OF ALKYL AND ALKOXYALKYL SUBSTITUTED BENZENE COMPOUNDS STAUFFER CHEMICAL COMPANY (US) 1983-11-23 EP disclosed
EP-0062368-A1 Perfume compositions as well as perfumed products containing alkyl substituted benzyl cyanides as a fragrance NAARDEN INTERNATIONAL N.V. (NL) 1982-10-13 EP disclosed
EP-0047562-A1 Method for the production of alkyl and alkoxyalkyl substituted benzene compounds STAUFFER CHEMICAL COMPANY (US) 1982-03-17 EP disclosed
US-4260760-A BACTERICIDES, ALGICIDES MERCK & CO., INC. (US) 1981-04-07 US disclosed
US-4172094-A Polyamine compounds MERCK & CO., INC. (US) 1979-10-23 US disclosed
US-4079059-A ANTIMICROBIAL, ALGAE INHIBITORS MERCK & CO., INC. (US) 1978-03-14 US disclosed
US-4070400-A MICROBIOCIDES, ALGICIDES MERCK & CO., INC. (US) 1978-01-24 US disclosed
US-4061775-A Polyamine compounds as antibacterial agents MERCK & CO., INC. (US) 1977-12-06 US disclosed
US-4058624-A Broad spectrum antibacterial compositions containing tris (hydroxymethyl)-aminomethane and diphenyl and loweralkyl substituted diphenyl polyamines MERCK & CO., INC. (US) 1977-11-15 US 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 (6 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-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 IDO1 1505/4885PYCR1 3322/4885LMNA 4281/4885
US-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists P2RY14, P2RY4, P2RY13 IDO1 3238/4885PYCR1 3684/4885LMNA 3507/4885
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 IDO1 419/4885PYCR1 407/4885LMNA 4785/4885
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists P2RY14, P2RY1, P2RY13 IDO1 2869/4885PYCR1 518/4885LMNA 3348/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 IDO1 419/4885PYCR1 407/4885LMNA 4785/4885
US-20220411383-A1 AMINOPYRAZINE DERIVATIVES AS PI3K-y INHIBITORS PIK3R5, PIK3CD, PIK3CG IDO1 933/4885PYCR1 2266/4885LMNA 4073/4885

“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.