SCHEMBL20964577

SCHEMBL20964577

CC(C)CC(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.75
▸ L3MBTL1 Q9Y468 5/20 0.75
▸ NPC1 O15118 4/20 0.75
▸ THRB P10828 1/20 0.75
▸ HPGD P15428 1/20 0.75
▸ TDP1 Q9NUW8 1/20 0.68
▸ NPSR1 Q6W5P4 2/20 0.68
▸ HTT P42858 1/20 0.68
▸ PTK2 Q05397 1/20 0.61
▸ MAPK1 P28482 3/20 0.61
▸ GLA P06280 1/20 0.61
▸ TSHR P16473 3/20 0.58
▸ MAPT P10636 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ ALDH1A1 P00352 2/20 0.54
▸ TP53 P04637 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 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
SCHEMBL19116519 0.83 DEGS1 (0.66) RAB9AL3MBTL1NPC1THRBHPGD
SCHEMBL19116525 0.83 RAB9A (0.62) RAB9AL3MBTL1NPC1THRBHPGD
SCHEMBL25443769 0.83 PTPN1 (0.67) RAB9AL3MBTL1NPC1THRBHPGD
SCHEMBL19090370 0.82 TDP1 (0.73) RAB9AL3MBTL1NPC1HPGDTDP1
SCHEMBL19116542 0.81 SMN1; SMN2 (0.55) RAB9AL3MBTL1NPC1THRBHPGD
SCHEMBL23933096 0.81 TDP1 (1.00) RAB9AL3MBTL1NPC1HPGDTDP1
SCHEMBL29883158 0.80 TDP1 (0.71) RAB9AL3MBTL1NPC1HPGDTDP1
SCHEMBL2188598 0.80 TDP1 (0.71) RAB9AL3MBTL1NPC1HPGDTDP1
SCHEMBL2944497 0.80 TDP1 (0.71) RAB9AL3MBTL1NPC1HPGDTDP1
SCHEMBL19099330 0.79 SMN1; SMN2 (0.53) RAB9AL3MBTL1NPC1THRBHPGD

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-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-12-01 — — US disclosed
US-20190127361-A1 Therapeutic Compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-05-02 — — 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-20190127361-A1 Therapeutic Compounds SDHA, SLC10A1, SERPINC1 RAB9A 426/4885L3MBTL1 4755/4885NPC1 11/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 RAB9A 2041/4885L3MBTL1 4517/4885NPC1 2196/4885

“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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