SCHEMBL218113

SCHEMBL218113

CCC(C)(C)c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 2/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 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
SCHEMBL779788 0.88 MAPK1 (0.41) ALDH1A1TDP1MAPK1MEN1KMT2A
SCHEMBL19068294 0.83 SLC6A2 (0.38) IDO1NOS3NOS1NOS2POLB
SCHEMBL14115701 0.82 IDO1 (0.39) IDO1NOS3NOS1NOS2POLB
SCHEMBL8233454 0.80 TAAR1 (0.50) IDO1NOS3NOS1NOS2POLB
SCHEMBL23600578 0.79 P2RX7 (0.47) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3919728 0.78 TAAR1 (0.48) IDO1NOS3NOS1NOS2POLB
SCHEMBL25006754 0.78 TRPV4 (0.33)
SCHEMBL12900809 0.77 MAPK1 (0.39) POLBALDH1A1TDP1MAPK1ATM
SCHEMBL779068 0.77 RIPK1 (0.39) ALDH1A1TDP1L3MBTL1MAPK1ATM
SCHEMBL805455 0.77 KCNN4 (0.42) IDO1HTR2CMAPK1ATMLMNA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255950-A1 3-(Hydroxy)-Pyridin-4(1H)-One Compounds and Methods of Making and Using the Same GEORGIA TECH RESEARCH CORPORATION 2023-08-17 US disclosed
US-20210284789-A1 HIGH DIELECTRIC BREAKDOWN POLYMERS; COMPOSITIONS; METHODS OF MAKING; AND USE THEREOF UNIVERSITY OF CONNECTICUT 2021-09-16 US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 US disclosed
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 US disclosed
US-9775844-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-10-03 US disclosed
US-9751888-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-9675571-B2 Inhibitors of indoleamine 2,3-dioxygenase (IDO) BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-13 US disclosed
US-9312127-B2 Method for producing semiconductor apparatus substrate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-20160064220-A1 METHOD FOR PRODUCING SEMICONDUCTOR APPARATUS SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-03-03 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 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-20230255950-A1 3-(Hydroxy)-Pyridin-4(1H)-One Compounds and Methods of Making and Using the Same KDM1B, KDM3A, KDM1A IDO1 1879/4885NOS3 3970/4885NOS1 3804/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA IDO1 4608/4885NOS3 931/4885NOS1 2561/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A IDO1 4649/4885NOS3 1246/4885NOS1 3909/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 IDO1 1635/4885NOS3 4497/4885NOS1 4628/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S IDO1 730/4885NOS3 724/4885NOS1 865/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 IDO1 2422/4885NOS3 4326/4885NOS1 3965/4885

“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.