SCHEMBL11116902

SCHEMBL11116902

COc1cc(OC)cc(N2CCCC2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.52
HTT P42858 1/20 0.51
HIF1A Q16665 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 1/20 0.50
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL24262954 0.95 F10 (0.48) TP53HTTHIF1ANPSR1LMNA
SCHEMBL7816033 0.90 TP53 (0.48) TP53HTTHIF1ANPSR1LMNA
SCHEMBL1936616 0.90 LMNA (0.49) TP53HTTHIF1ANPSR1LMNA
SCHEMBL5224872 0.86 ALDH1A1 (0.61) TP53HTTHIF1ANPSR1LMNA
SCHEMBL609306 0.86 TP53 (0.59) TP53HTTHIF1ANPSR1LMNA
SCHEMBL29930365 0.86 TP53 (0.59) TP53HTTHIF1ANPSR1LMNA
SCHEMBL5218738 0.85 KMT2A (0.53) TP53HTTHIF1ANPSR1LMNA
SCHEMBL11116125 0.85 NPC1 (0.60) TP53HTTHIF1ANPSR1KMT2A
SCHEMBL20794654 0.84 ALDH1A1 (0.51) TP53HTTHIF1ANPSR1LMNA
SCHEMBL1937159 0.84 TP53 (0.46) TP53HTTHIF1ANPSR1LMNA

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
EP-0106988-A1 Pharmacologically active lactam derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP claimed
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-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
EP-0106988-A1 Pharmacologically active lactam derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP 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 TP53 4788/4885HTT 3751/4885HIF1A 4346/4885
US-20170260172-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS COASY, NAAA, ASNS TP53 4661/4885HTT 2062/4885HIF1A 4652/4885
US-10040784-B2 Compositions and methods for acylating lactams COASY, NAAA, ASNS TP53 4661/4885HTT 2062/4885HIF1A 4652/4885
US-20190077796-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS COASY, NAAA, ASNS TP53 4661/4885HTT 2062/4885HIF1A 4652/4885

“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.