Sugi Predict

Sugi Predict / Compounds / SCHEMBL14764159

SCHEMBL14764159

SCHEMBL14764159

COc1ccc(N2CCN(c3ccc(NC(=O)O)cc3F)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ MEN1 O00255 8/20 0.57
▸ KMT2A Q03164 8/20 0.57
▸ MAPT P10636 7/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ HPGD P15428 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ USP2 O75604 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ HTR1A P08908 2/20 0.53
▸ HTR1D P28221 2/20 0.53
▸ HTR1B P28222 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53

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
SCHEMBL14764216 0.87 KMT2A (0.74) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL29945184 0.87 KMT2A (0.74) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL15928522 0.87 GAA (0.60) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL29945173 0.87 GAA (0.60) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL7454467 0.85 KMT2A (0.72) LMNAMEN1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL9038264 0.83 KMT2A (0.70) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL4920895 0.80 MEN1 (0.58) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL15927828 0.79 MAPT (0.62) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6988691 0.78 HTT (0.67) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL31504197 0.77 MAPT (0.72) LMNAMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028078-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-08 — — US disclosed
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-02-07 — — US disclosed
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF UNIV JOHNS HOPKINS (US) 2016-09-15 — — US disclosed
US-9346791-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-24 — — US disclosed
US-20140221393-A1 Itraconazole Analogs and Use Thereof THE JOHNS HOPKINS UNIVERSITY 2014-08-07 — — US disclosed
WO-2013036866-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2013-03-14 — — WO 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-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR LMNA 4868/4885POLB 4814/4885MEN1 3871/4885
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR LMNA 4868/4885POLB 4814/4885MEN1 3871/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR LMNA 4868/4885POLB 4814/4885MEN1 3871/4885
US-20140221393-A1 Itraconazole Analogs and Use Thereof SHH, GLI1, KDR LMNA 4868/4885POLB 4814/4885MEN1 3871/4885

“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.