SCHEMBL19639481

SCHEMBL19639481

COC(=O)c1ccc(-c2nnc(-c3ccc(O)c(N4CCCC4)c3)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ RAB9A P51151 10/20 0.47
▸ NPC1 O15118 8/20 0.47
▸ SMN1; SMN2 Q16637 7/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TSHR P16473 2/20 0.44
▸ MYC P01106 1/20 0.43
▸ GSK3A P49840 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ MAPT P10636 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41

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
SCHEMBL17847387 0.86 MYC (0.55) HTR1DSLC6A4RAB9ANPC1SMN1; SMN2
SCHEMBL12948034 0.76 KDM4E (0.51) RAB9ANPC1SMN1; SMN2KDM4ETSHR
SCHEMBL28639617 0.76 KDM4E (0.44) RAB9ANPC1SMN1; SMN2KDM4ENPSR1
SCHEMBL9422430 0.76 CA1 (0.65) RAB9ANPC1SMN1; SMN2KDM4ETSHR
SCHEMBL15714702 0.74 MYC (0.71) RAB9ANPC1SMN1; SMN2KDM4ENPSR1
SCHEMBL12918700 0.73 TDP1 (0.65) RAB9ANPC1SMN1; SMN2KDM4ENPSR1
SCHEMBL5202186 0.73 NPC1 (0.68) RAB9ANPC1SMN1; SMN2KDM4ETSHR
SCHEMBL19639503 0.73 RARA (0.51) SMN1; SMN2KDM4EGSK3AGSK3BMAPT
SCHEMBL12920437 0.72 MAPT (0.53) RAB9ANPC1SMN1; SMN2KDM4ETSHR
SCHEMBL12920436 0.72 MAPT (0.53) RAB9ANPC1SMN1; SMN2KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647688-B2 Compounds, synthesis method thereof and use of same in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-05-12 — — US claimed
US-20170342040-A1 NOVEL COMPOUNDS, SYNTHESIS METHOD THEREOF AND USE OF SAME IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-11-30 — — US claimed
EP-3233806-B1 HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RES & DEV (FR) 2021-10-27 — — EP disclosed
US-10647688-B2 Compounds, synthesis method thereof and use of same in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-05-12 — — US disclosed
US-10647688-B2 Compounds, synthesis method thereof and use of same in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-05-12 — — US disclosed
US-20170342040-A1 NOVEL COMPOUNDS, SYNTHESIS METHOD THEREOF AND USE OF SAME IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-11-30 — — US disclosed
US-20170342040-A1 NOVEL COMPOUNDS, SYNTHESIS METHOD THEREOF AND USE OF SAME IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-11-30 — — US disclosed
US-20170342040-A1 NOVEL COMPOUNDS, SYNTHESIS METHOD THEREOF AND USE OF SAME IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-11-30 — — 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 (2 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-20170342040-A1 NOVEL COMPOUNDS, SYNTHESIS METHOD THEREOF AND USE OF SAME IN MEDICINE AND IN COSMETICS RARA, RARB, RARG HTR1D 3421/4885SLC6A4 4676/4885RAB9A 2985/4885
US-10647688-B2 Compounds, synthesis method thereof and use of same in medicine and in cosmetics RARA, RARB, RARG HTR1D 3538/4885SLC6A4 4598/4885RAB9A 3028/4885

“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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