SCHEMBL4473648

SCHEMBL4473648

CC(=O)c1ccn(-c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
HTT P42858 2/20 0.58
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP2C9 P11712 1/20 0.53
GAA P10253 1/20 0.50
ELOVL1 Q9BW60 8/20 0.47
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
USP30 Q70CQ3 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL27790040 0.85 CYP2C9 (0.56) MAPTHTTTSHRHSD17B10L3MBTL1
SCHEMBL1063920 0.85 CYP2C9 (0.61) MAPTHTTTSHRHSD17B10L3MBTL1
SCHEMBL19778587 0.82 KMT2A (0.54) MAPTHTTTSHRHSD17B10L3MBTL1
SCHEMBL725497 0.81 CYP2C9 (0.53) MAPTHTTTSHRHSD17B10L3MBTL1
SCHEMBL27360401 0.81 CYP2C9 (0.53) MAPTHTTTSHRHSD17B10L3MBTL1
SCHEMBL18997594 0.81 ELOVL1 (0.50) MAPTHTTTSHRHSD17B10L3MBTL1
SCHEMBL17321495 0.81 ELOVL1 (0.50) MAPTHTTTSHRHSD17B10L3MBTL1
SCHEMBL1062877 0.81 ELOVL1 (0.50) MAPTHTTTSHRHSD17B10L3MBTL1
SCHEMBL15401858 0.81 MAPT (0.54) MAPTHTTTSHRHSD17B10L3MBTL1
SCHEMBL13832650 0.81 GAA (0.66) MAPTHTTTSHRHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008092851-A2 PESTICIDAL COMPOSITIONS COMPRISING 3 -ACETYL-I- PHENYLPYRAZOLE COMPOUNDS BASF SE (DE) 2008-08-07 WO claimed
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 EP disclosed
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-10 US disclosed
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-04-30 US disclosed
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-07 US disclosed
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-01-17 US disclosed
US-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 US disclosed
US-20170247355-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. 2017-08-31 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
US-9556166-B2 Proteostasis regulators PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-01-31 US disclosed
US-20170022221-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2017-01-26 US disclosed
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 US disclosed
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 US disclosed
US-20120316193-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. 2012-12-13 US disclosed
WO-2008092851-A3 PESTICIDAL COMPOSITIONS COMPRISING 3 -ACETYL-I- PHENYLPYRAZOLE COMPOUNDS BASF SE (DE) 2009-08-06 WO disclosed
WO-2008092851-A2 PESTICIDAL COMPOSITIONS COMPRISING 3 -ACETYL-I- PHENYLPYRAZOLE COMPOUNDS BASF SE (DE) 2008-08-07 WO disclosed
WO-2008092851-A2 PESTICIDAL COMPOSITIONS COMPRISING 3 -ACETYL-I- PHENYLPYRAZOLE COMPOUNDS BASF SE (DE) 2008-08-07 WO disclosed
JP-2004018487-A NOXIOUS ORGANISM CONTROLLING AGENT COMPOSITION AND NOXIOUS ORGANISM CONTROLLING METHOD SUMITOMO CHEM CO LTD 2004-01-22 JP 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 (10 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-20170247355-A1 PROTEOSTASIS REGULATORS PSMG3, VCP, HSPA5 MAPT 577/4885HTT 234/4885TSHR 4284/4885
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK ROCK1, MYLK, RHOA MAPT 280/4885HTT 2827/4885TSHR 2955/4885
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 MAPT 138/4885HTT 2391/4885TSHR 3770/4885
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA MAPT 291/4885HTT 2939/4885TSHR 2885/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA MAPT 291/4885HTT 2939/4885TSHR 2885/4885
US-20120316193-A1 PROTEOSTASIS REGULATORS PSMG3, VCP, HSPA5 MAPT 577/4885HTT 234/4885TSHR 4284/4885
US-20170022221-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS GABRA5, GABRA1, GABBR2 MAPT 2157/4885HTT 4383/4885TSHR 1396/4885
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 MAPT 171/4885HTT 3108/4885TSHR 1625/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 MAPT 2731/4885HTT 4394/4885TSHR 4461/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA MAPT 280/4885HTT 2827/4885TSHR 2955/4885

“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.