SCHEMBL21740907

SCHEMBL21740907

CC(C)NC(=O)Nc1cccc(C(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CA2 P00918 3/20 0.60
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA9 Q16790 2/20 0.60
MTOR P42345 1/20 0.55
FADS1 O60427 1/20 0.55
HSD17B10 Q99714 1/20 0.54
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
KDR P35968 3/20 0.47

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
SCHEMBL22629682 0.85 CA2 (0.69) MEN1KMT2ACA2MTORFADS1
SCHEMBL14445018 0.85 MEN1 (0.63) MEN1KMT2ACA2MTORFADS1
SCHEMBL14986226 0.84 CA2 (0.58) MEN1KMT2ACA2CA12CA1
SCHEMBL14983609 0.82 MEN1 (0.52) MEN1KMT2ACA2CA12CA1
SCHEMBL2625550 0.81 KMT2A (0.62) MEN1KMT2ACA2CA12CA1
SCHEMBL11224931 0.81 CA12 (0.61) MEN1KMT2ACA2CA12CA1
SCHEMBL104492 0.81 ALDH1A1 (0.59) MEN1KMT2ACA2FADS1HSD17B10
SCHEMBL2096086 0.81 FADS1 (0.59) MEN1KMT2ACA2MTORFADS1
SCHEMBL2096083 0.81 FADS1 (0.59) MEN1KMT2ACA2CA1CA9
SCHEMBL22328192 0.81 MEN1 (0.58) MEN1KMT2ACA2MTORFADS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20210309665-A1 COMPOUND HAVING TRKA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION, FOR PREVENTING OR ALLEVIATING PAIN, CONTAINING SAME AS ACTIVE INGREDIENT JBKLAB CO., LTD (KR) 2021-10-07 US disclosed
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 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 (5 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR MEN1 1926/4885KMT2A 3925/4885CA2 3249/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA MEN1 1172/4885KMT2A 4131/4885CA2 2962/4885
US-20210309665-A1 COMPOUND HAVING TRKA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION, FOR PREVENTING OR ALLEVIATING PAIN, CONTAINING SAME AS ACTIVE INGREDIENT NGF, OPRL1, TRPV1 MEN1 3901/4885KMT2A 2738/4885CA2 1569/4885
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS MEN1 1612/4885KMT2A 4024/4885CA2 4606/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS MEN1 1612/4885KMT2A 4024/4885CA2 4606/4885

“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.