SCHEMBL14595548

SCHEMBL14595548

O=C(NC(C(=O)c1ccc(F)cc1)c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.63
▸ ALDH1A1 P00352 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ CTRB1 P17538 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ S1PR4 O95977 1/20 0.49
▸ S1PR3 Q99500 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KCNK3 O14649 1/20 0.49
▸ KCNK9 Q9NPC2 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ SLC6A9 P48067 1/20 0.48
▸ F2 P00734 2/20 0.47
▸ F10 P00742 2/20 0.47
▸ PRSS1 P07477 2/20 0.47
▸ HPGDS O60760 1/20 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
SCHEMBL14595547 0.90 LMNA (0.56) NPC1ALDH1A1CTRB1RAB9ACA1
SCHEMBL7047478 0.90 SLC6A9 (0.56) NPC1ALDH1A1GAACA1CA2
SCHEMBL4978745 0.90 SLC6A9 (0.56) NPC1ALDH1A1GAARAB9AMEN1
SCHEMBL4450456 0.82 NPC1 (0.64) NPC1ALDH1A1GAARAB9ACA1
SCHEMBL7045241 0.81 ALDH1A1 (0.55) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL10350829 0.81 NPC1 (0.59) NPC1ALDH1A1GAACTRB1RAB9A
SCHEMBL27244203 0.81 NPC1 (0.58) NPC1ALDH1A1GAARAB9AMEN1
SCHEMBL28270695 0.80 ALDH1A1 (0.49) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL5521051 0.80 ALDH1A1 (0.76) NPC1ALDH1A1GAAMEN1KMT2A
SCHEMBL4978454 0.79 ALDH1A1 (0.54) ALDH1A1CA1CA2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015779-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2007-01-18 — — US disclosed
US-20070015779-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2007-01-18 — — 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 (1 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-20070015779-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE HMGCR, HMGB3, HMGB2 NPC1 618/4885ALDH1A1 1659/4885GAA 1857/4885

“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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