SCHEMBL1825815

SCHEMBL1825815

CC(=O)N1c2ccccc2CCC1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.71
TSHR P16473 1/20 0.62
PDK1 Q15118 6/20 0.59
PDK2 Q15119 6/20 0.59
PDK3 Q15120 6/20 0.59
PDK4 Q16654 6/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B3 P37058 1/20 0.54
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
CHRM2 P08172 2/20 0.51
CHRM4 P08173 2/20 0.51
CHRM1 P11229 2/20 0.51
BRD4 O60885 1/20 0.50
CHRM3 P20309 1/20 0.50

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
SCHEMBL30366703 1.00 NOTUM (0.71) NOTUMTSHRPDK1PDK2PDK3
SCHEMBL30366447 1.00 NOTUM (0.71) NOTUMTSHRPDK1PDK2PDK3
SCHEMBL17018045 1.00 NOTUM (0.71) NOTUMTSHRPDK1PDK2PDK3
SCHEMBL20462833 0.87 TSHR (0.62) NOTUMTSHRPDK1PDK2PDK3
SCHEMBL7785444 0.85 TSHR (0.60) NOTUMTSHRPDK1PDK2PDK3
Lithium Ion SCHEMBL22092468 0.84 TSHR (0.59) NOTUMTSHRPDK1PDK2PDK3
Lithium Ion SCHEMBL30437889 0.84 TSHR (0.59) NOTUMTSHRPDK1PDK2PDK3
SCHEMBL24953447 0.83 POLB (0.56) NOTUMTSHRPDK1PDK2PDK3
SCHEMBL2586534 0.83 NOTUM (1.00) NOTUMMEN1KMT2ASMN1; SMN2
SCHEMBL10167044 0.83 NOTUM (1.00) NOTUMMEN1KMT2ASMN1; SMN2

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
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MONASH UNIVERSITY (AU) 2023-10-05 US disclosed
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MONASH UNIVERSITY (AU) 2023-10-05 US disclosed
US-11666580-B2 Mechanism of resistance to bet bromodomain inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-06 US disclosed
US-11666580-B2 Mechanism of resistance to bet bromodomain inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-06 US disclosed
US-11369638-B2 2022-06-28 US disclosed
WO-2021152149-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2021-08-05 WO disclosed
US-20200368248-A1 MECHANISM OF RESISTANCE TO BET BROMODOMAIN INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-26 US disclosed
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-27 US disclosed
US-10426799-B2 Methods for production of platelets from pluripotent stem cells and compositions thereof ASTELLAS INSTITUTE FOR REGENERATIVE MEDICINE (US) 2019-10-01 US disclosed
US-9993503-B2 Methods for production of platelets from pluripotent stem cells and compositions thereof ASTELLAS INSTITUTE FOR REGENERATIVE MEDICINE (US) 2018-06-12 US disclosed
WO-2013033270-A2 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed
US-20120252139-A1 Novel Process GLAXOSMITHKLINE LLC 2012-10-04 US disclosed
US-20120252139-A1 Novel Process GLAXOSMITHKLINE LLC 2012-10-04 US disclosed
US-20120252139-A1 Novel Process GLAXOSMITHKLINE LLC 2012-10-04 US disclosed
EP-2496945-A1 NOVEL PROCESS GlaxoSmithKline LLC (US) 2012-09-12 EP disclosed
WO-2011054851-A1 NOVEL PROCESS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011054851-A1 NOVEL PROCESS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
US-20100204282-A1 Reverse indoles as 5-lipoxygenase-activating protein (FLAP) inhibitors AMIRA PHARMACEUTICALS, INC. 2010-08-12 US disclosed
WO-2007084625-A9 NOVEL COMPOUNDS AND METHODS FOR INHIBITING P53 ACTIVITY SINAI SCHOOL MEDICINE (US) 2007-09-13 WO disclosed
WO-2007084625-A2 NOVEL COMPOUNDS AND METHODS FOR INHIBITING P53 ACTIVITY MOUNT SINAI SCHOOL OF MEDICINE (US) 2007-07-26 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 (7 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-20100204282-A1 Reverse indoles as 5-lipoxygenase-activating protein (FLAP) inhibitors ALOX5, LTC4S, LTA4H NOTUM 302/4885TSHR 3772/4885PDK1 2106/4885
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy BRDT, BRD4, BRD1 NOTUM 2058/4885TSHR 3711/4885PDK1 2163/4885
US-11666580-B2 Mechanism of resistance to bet bromodomain inhibitors BET1, BRD2, BRD4 NOTUM 3487/4885TSHR 4104/4885PDK1 2639/4885
US-10426799-B2 Methods for production of platelets from pluripotent stem cells and compositions thereof THPO, PDGFRA, PDGFRB NOTUM 4144/4885TSHR 4224/4885PDK1 2196/4885
US-20200368248-A1 MECHANISM OF RESISTANCE TO BET BROMODOMAIN INHIBITORS BET1, BRD2, BRD4 NOTUM 3487/4885TSHR 4104/4885PDK1 2639/4885
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MAP2K2, BRPF3, BRDT NOTUM 4466/4885TSHR 3349/4885PDK1 540/4885
US-11369638-B2 THPO, PDGFRA, PDGFA NOTUM 4138/4885TSHR 4325/4885PDK1 1793/4885

“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.