SCHEMBL8487489

SCHEMBL8487489

O=C(Nc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.79
NPC1 O15118 5/20 0.79
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
CASP3 P42574 1/20 0.76
SENP7 Q9BQF6 1/20 0.76
GABRP O00591 3/20 0.68
GABRD O14764 3/20 0.68
GABRA1 P14867 3/20 0.68
GABRB1 P18505 3/20 0.68
GABRG2 P18507 3/20 0.68
GABRB3 P28472 3/20 0.68
GABRA5 P31644 3/20 0.68
GABRA3 P34903 3/20 0.68
GABRA2 P47869 3/20 0.68
GABRB2 P47870 3/20 0.68
GABRA4 P48169 3/20 0.68
GABRE P78334 3/20 0.68
GABRA6 Q16445 3/20 0.68
GABRG1 Q8N1C3 3/20 0.68

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
SCHEMBL11903794 0.88 RAB9A (1.00) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL32319858 0.88 RAB9A (1.00) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL11924589 0.87 RAB9A (0.81) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL13043478 0.86 RAB9A (0.59) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL11921534 0.86 RAB9A (1.00) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL13044600 0.86 RAB9A (0.79) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL11924527 0.86 RAB9A (0.79) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL11924468 0.86 RAB9A (0.79) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL20567516 0.86 STING1 (0.64) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL13044623 0.85 RAB9A (0.73) RAB9ANPC1MEN1KMT2ACASP3

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-20140155626-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-05 US disclosed
US-20130011923-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
US-8242149-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-14 US disclosed
US-6008231-A ANTIALLERGENS, ANTIHISTAMINES, IMMUNOSUPPRESSANTS, IMMUNOMODULATORS ASTA MEDICA AKTIENGESELLSCHGT (DE) 1999-12-28 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-20140155626-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 RAB9A 2302/4885NPC1 29/4885MEN1 4698/4885

“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.