Sugi Predict

Sugi Predict / Compounds / SCHEMBL11592004

SCHEMBL11592004

SCHEMBL11592004

Oc1ccc(CNCCNCc2ccc(O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55
▸ DRD4 P21917 1/20 0.53
▸ SCN8A Q9UQD0 1/20 0.51
▸ BCHE P06276 1/20 0.51
▸ ESR1 P03372 2/20 0.50
▸ ESR2 Q92731 2/20 0.50
▸ TMEM97 Q5BJF2 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ THRB P10828 2/20 0.47
▸ HPGD P15428 2/20 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
SCHEMBL6277988 0.89 CA2 (0.61) MEN1KMT2ACA1CA2DRD4
SCHEMBL11594250 0.88 MAOA (0.61) SCN8ASIGMAR1CHRM2
SCHEMBL1822940 0.88 SMN1; SMN2 (0.56) MEN1KMT2ATDP1CA1CA2
SCHEMBL6013974 0.87 CA1 (0.50) MEN1KMT2ATDP1CA1CA2
SCHEMBL28690750 0.86 CA1 (0.53) MEN1KMT2ATDP1CA1CA2
SCHEMBL3622998 0.86 HRH4 (0.52) MEN1KMT2ACA1CA2DRD4
SCHEMBL3975454 0.83 HRH4 (0.63) MEN1KMT2ASCN8AESR1SMN1; SMN2
SCHEMBL580289 0.81 BCHE (0.77) MEN1KMT2ATDP1CA1CA2
SCHEMBL3879539 0.81 CHEK1 (0.48) MEN1KMT2ACA1CA2DRD4
SCHEMBL3695539 0.81 BCHE (0.77) MEN1KMT2ATDP1CA1CA2

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-20210315895-A1 BENZATHINE ANALOGS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-10-14 — — US disclosed
US-10369150-B2 Benzathine analogs University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-08-06 — — US disclosed
US-10307423-B2 FBXO3 inhibitors UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-06-04 — — US disclosed
US-20190091222-A1 BENZATHINE ANALOGS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-03-28 — — US disclosed
US-4129556-A N,N'-BIS-(2-HYDROXYBENZYL)-ALKYLENE-DIAMINES, N,N'-BIS-(2-HYDROXYBENZYL)-ARYLENE-DIAMINES CIBA-GEIGY CORPORATION (US) 1978-12-12 — — 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-20190091222-A1 BENZATHINE ANALOGS HDAC10, CFTR, HBB MEN1 1136/4885KMT2A 1480/4885TDP1 4062/4885
US-10369150-B2 Benzathine analogs HDAC10, CFTR, HBB MEN1 1136/4885KMT2A 1480/4885TDP1 4062/4885
US-20210315895-A1 BENZATHINE ANALOGS HDAC10, CFTR, HBB MEN1 1136/4885KMT2A 1480/4885TDP1 4062/4885
US-10307423-B2 FBXO3 inhibitors CUL3, RBX1, FBXL19 MEN1 1574/4885KMT2A 281/4885TDP1 2454/4885

“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.