SCHEMBL7258047

SCHEMBL7258047

O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C1CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.70
▸ NPC1 O15118 6/20 0.70
▸ ABL1 P00519 2/20 0.70
▸ SMN1; SMN2 Q16637 5/20 0.68
▸ KDM4E B2RXH2 4/20 0.68
▸ LMNA P02545 3/20 0.68
▸ MAPT P10636 3/20 0.68
▸ MCOLN3 Q8TDD5 1/20 0.68
▸ TDP1 Q9NUW8 1/20 0.68
▸ GSTO1 P78417 1/20 0.66
▸ MEN1 O00255 5/20 0.65
▸ KMT2A Q03164 5/20 0.65
▸ GSK3B P49841 1/20 0.63
▸ ALDH1A1 P00352 3/20 0.60
▸ POLB P06746 2/20 0.60
▸ NFKB1 P19838 2/20 0.60
▸ NFKB2 Q00653 2/20 0.60
▸ RELA Q04206 2/20 0.60
▸ AR P10275 1/20 0.59
▸ TP53 P04637 1/20 0.58

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
SCHEMBL2559540 0.93 RAB9A (0.65) RAB9ANPC1ABL1SMN1; SMN2KDM4E
SCHEMBL14758306 0.85 KDM4E (0.70) RAB9ANPC1ABL1SMN1; SMN2KDM4E
SCHEMBL30581066 0.84 RAB9A (0.78) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL5577096 0.83 RAB9A (0.62) RAB9ANPC1ABL1SMN1; SMN2KDM4E
SCHEMBL7241453 0.83 RAB9A (0.65) RAB9ANPC1ABL1SMN1; SMN2KDM4E
SCHEMBL24026399 0.82 RAB9A (0.74) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL7239435 0.81 RAB9A (0.61) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL27911241 0.80 KDM4E (0.70) RAB9ANPC1ABL1SMN1; SMN2KDM4E
SCHEMBL15689170 0.80 ABL1 (0.74) RAB9ANPC1ABL1SMN1; SMN2KDM4E
SCHEMBL17107238 0.80 RAB9A (0.70) RAB9ANPC1ABL1SMN1; SMN2KDM4E

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-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 — — US disclosed
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 — — US disclosed
WO-2013033037-A2 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-07 — — WO disclosed
WO-2003006443-A2 2- 4-(NAPHTALIN-2-YL)-THIAZOL-2-YLAMINOCARBONYL BENZOIC ACID AND 2- 4-(NAPHTALIN-2-YL)-PYRIMIDIN-2-YLAMINOCARBONYL BENZOIC ACID AND ADDITIONAL COMPOUNDS SERVING AS TELOMERASE INHIBITORS FOR USE IN TUMOR THERAPY BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-23 — — 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 (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-20140329863-A1 NOVEL ANTIPRION COMPOUNDS PRNP, PSEN1, PSEN2 RAB9A 1779/4885NPC1 57/4885ABL1 4772/4885

“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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