SCHEMBL19327324

SCHEMBL19327324

COc1ccc(CC2CCN(c3ccccc3OC)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ATM Q13315 1/20 0.49
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ROCK2 O75116 3/20 0.47
▸ HSD11B1 P28845 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP26A1 O43174 1/20 0.42
▸ CYP24A1 Q07973 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 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
SCHEMBL19327326 0.91 ROCK2 (0.53) ATMKMT2AMEN1TSHRROCK2
SCHEMBL19327290 0.90 ROCK2 (0.54) ALDH1A1SMN1; SMN2ATMKMT2AMEN1
SCHEMBL19327311 0.81 ATM (0.56) ALDH1A1ATMKMT2AMEN1POLB
SCHEMBL19327265 0.80 RAB9A (0.45) ALDH1A1SMN1; SMN2ATMKMT2AMEN1
SCHEMBL19327267 0.80 RAB9A (0.45) ALDH1A1SMN1; SMN2ATMKMT2AMEN1
SCHEMBL19327305 0.77 ATM (0.51) ALDH1A1ATMKMT2AMEN1POLB
SCHEMBL19327316 0.76 ATM (0.50) ALDH1A1ATMKMT2AMEN1POLB
SCHEMBL19327318 0.76 ATM (0.50) ALDH1A1ATMKMT2AMEN1POLB
SCHEMBL14177588 0.76 MEN1 (0.48) KMT2AMEN1TSHRCYP26A1CYP24A1
SCHEMBL19340071 0.76 ATM (0.47) ALDH1A1ATMKMT2AMEN1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124503-B2 Compositions and methods for acylating lactams CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-09-21 — — US disclosed
US-11124503-B2 Compositions and methods for acylating lactams CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-09-21 — — US disclosed
US-20190077796-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-03-14 — — US disclosed
US-20190077796-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-03-14 — — US disclosed
EP-3426391-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS California Institute of Technology (US) 2019-01-16 — — EP disclosed
US-10040784-B2 Compositions and methods for acylating lactams CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-08-07 — — US disclosed
US-10040784-B2 Compositions and methods for acylating lactams CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-08-07 — — US disclosed
US-10040784-B2 Compositions and methods for acylating lactams CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-08-07 — — US disclosed
US-20170260172-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-09-14 — — US disclosed
US-20170260172-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-09-14 — — US disclosed
WO-2017156239-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-09-14 — — WO disclosed
US-20170260172-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-09-14 — — 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 (4 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-11124503-B2 Compositions and methods for acylating lactams COASY, ASNS, NAAA ALDH1A1 894/4885SMN1; SMN2 2602/4885ATM 3327/4885
US-20170260172-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS COASY, NAAA, ASNS ALDH1A1 1884/4885SMN1; SMN2 2690/4885ATM 2679/4885
US-10040784-B2 Compositions and methods for acylating lactams COASY, NAAA, ASNS ALDH1A1 1884/4885SMN1; SMN2 2690/4885ATM 2679/4885
US-20190077796-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS COASY, NAAA, ASNS ALDH1A1 1884/4885SMN1; SMN2 2690/4885ATM 2679/4885

“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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