SCHEMBL15928331

SCHEMBL15928331

CCC(C)N(C)C(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.61
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
GFER P55789 1/20 0.54
REV1 Q9UBZ9 1/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 6/20 0.52
ALDH1A1 P00352 2/20 0.52
NR4A1 P22736 1/20 0.52
MCL1 Q07820 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HTT P42858 1/20 0.49
SLC1A2 P43004 1/20 0.49

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
SCHEMBL15927757 0.87 NPY5R (0.55) NPY5RKMT2AMEN1GFERRAB9A
SCHEMBL24335494 0.79 GFER (0.62) KMT2AMEN1GFERREV1RAB9A
SCHEMBL15928333 0.79 KMT2A (0.65) KMT2AMEN1GFERREV1RAB9A
SCHEMBL13137657 0.78 KMT2A (0.55) KMT2AMEN1GFERREV1RAB9A
SCHEMBL3048258 0.77 KMT2A (0.56) KMT2AMEN1GFERREV1RAB9A
SCHEMBL10498566 0.76 KMT2A (0.53) KMT2AMEN1GFERREV1RAB9A
SCHEMBL7454467 0.76 KMT2A (0.72) KMT2AMEN1GFERREV1RAB9A
SCHEMBL15800700 0.76 KMT2A (0.72) KMT2AMEN1GFERREV1RAB9A
SCHEMBL10498662 0.75 ALDH1A1 (0.50) KMT2AMEN1GFERREV1RAB9A
Hydrochloric Acid SCHEMBL9038264 0.74 KMT2A (0.70) KMT2AMEN1GFERREV1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 NPY5R 3031/4885KMT2A 3182/4885MEN1 3871/4885
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR NPY5R 3031/4885KMT2A 3182/4885MEN1 3871/4885
US-20140221393-A1 Itraconazole Analogs and Use Thereof SHH, GLI1, KDR NPY5R 3031/4885KMT2A 3182/4885MEN1 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.