SCHEMBL12755286

SCHEMBL12755286

Cc1c(C(C)(C)C)[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.57
▸ HPGD P15428 3/20 0.53
▸ CHRNB2 P17787 2/20 0.53
▸ CHRNA7 P36544 2/20 0.53
▸ CHRNA4 P43681 2/20 0.53
▸ KIF11 P52732 5/20 0.47
▸ DAO P14920 1/20 0.47
▸ DDO Q99489 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ GPR3 P46089 1/20 0.46
▸ HTT P42858 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TNKS2 Q9H2K2 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ RAB9A P51151 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
SCHEMBL9620309 0.82 AHR (0.55) AHRHPGDKIF11DAODDO
SCHEMBL6865431 0.79 CHRNB2 (0.53) AHRHPGDCHRNB2CHRNA7CHRNA4
SCHEMBL31588360 0.78 CHRNB2 (0.51) AHRHPGDCHRNB2CHRNA7CHRNA4
SCHEMBL31377086 0.78 HPGD (0.56) AHRHPGDCHRNB2CHRNA7CHRNA4
SCHEMBL10067367 0.77 MEN1 (0.43) HPGDCHRNB2CHRNA7CHRNA4KIF11
SCHEMBL7195762 0.75 AHR (0.70) AHRHPGDKIF11DAODDO
SCHEMBL10067362 0.75 MEN1 (0.59) KIF11RAB9AMEN1KMT2A
SCHEMBL21100920 0.75 KIF11 (0.56) HPGDKIF11ALDH1A1HSD17B10MAPT
SCHEMBL30314130 0.75 CHRNB2 (0.61) AHRHPGDCHRNB2CHRNA7CHRNA4
SCHEMBL13403328 0.75 CCNB2 (0.50) AHRHPGDCHRNB2CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof BIOIMICS AB (SE) 2021-09-28 — — US disclosed
US-20190233384-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2019-08-01 — — US disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 — — US disclosed
US-20180093995-A1 HYPOXIA-INDUCIBLE FACTOR 1 (HIF-1) INHIBITORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2018-04-05 — — US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
CN-103755621-B The method of polysubstituted indoles is prepared by aryl hydrazines and alkynes TSINGHUA UNIVERSITY (CN) 2015-08-05 — — CN disclosed
CN-103755621-A Method for preparing polysubstituted indole from aryl hydrazine and alkyne UNIV TSINGHUA 2014-04-30 — — CN disclosed
US-8637542-B2 Kinase inhibitors and methods of use INTELLIKINE, INC. (US) 2014-01-28 — — US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 — — US disclosed
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-09-16 — — US disclosed
US-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BAYER HEALTHCARE LLC (US) 2010-01-21 — — US disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 — — 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 (9 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-20190233384-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF ELANE, MPO, NISCH AHR 1368/4885HPGD 25/4885CHRNB2 4881/4885
US-20180093995-A1 HYPOXIA-INDUCIBLE FACTOR 1 (HIF-1) INHIBITORS HIF1AN, HIF1A, EGLN2 AHR 506/4885HPGD 170/4885CHRNB2 3959/4885
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 AHR 4345/4885HPGD 3653/4885CHRNB2 4633/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI AHR 4304/4885HPGD 3328/4885CHRNB2 3693/4885
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof ELANE, MPO, NISCH AHR 1368/4885HPGD 25/4885CHRNB2 4881/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 AHR 3041/4885HPGD 1616/4885CHRNB2 2270/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 AHR 3041/4885HPGD 1616/4885CHRNB2 2270/4885
US-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BCAT2, BCAT1, FABP4 AHR 11/4885HPGD 3194/4885CHRNB2 4221/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 AHR 11/4885HPGD 3194/4885CHRNB2 4221/4885

“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.

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