SCHEMBL19002287

SCHEMBL19002287

COc1ccncc1CCNC(O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ TSPO P30536 3/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2E1 P05181 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34

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
SCHEMBL18997723 0.77 ALDH1A1 (0.51) MEN1KMT2AMTNR1AMTNR1BPOLB
SCHEMBL19049440 0.74 MTNR1A (0.64) MEN1KMT2AMTNR1AMTNR1B
SCHEMBL23222222 0.72 NOS3 (0.45) MEN1KMT2ANOS3NOS1CA12
SCHEMBL19002283 0.72 MEN1 (0.51) MEN1KMT2AMTNR1AMTNR1B
SCHEMBL34462738 0.71 TAAR1 (0.56) NOS3NOS1CA12CA1CA2
SCHEMBL1770449 0.70 CYP11B1 (0.45) MEN1KMT2ACA12CA1CA2
SCHEMBL91395 0.68 CA12 (0.50) MEN1KMT2ACA12CA1CA2
SCHEMBL20520330 0.68 CA12 (0.44) MEN1KMT2ANOS3NOS1CA12
SCHEMBL19318499 0.68 POLB (0.48) MEN1KMT2ACA12CA1CA2
SCHEMBL12190599 0.67 CA12 (0.42) MEN1KMT2ANOS3NOS1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221191-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC 2019-03-05 — — US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 — — 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 (2 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-10221191-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 MEN1 4080/4885KMT2A 3544/4885NOS3 645/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 MEN1 4080/4885KMT2A 3544/4885NOS3 645/4885

“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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