SCHEMBL5215312

SCHEMBL5215312

Cc1nc(-c2ccc3c(c2)CCCC3)c(Br)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ADCY1 Q08828 9/20 0.38
ADCY8 P40145 8/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5214424 0.78 RAB9A (0.40) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5214221 0.77 RAB9A (0.44) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL16421086 0.73 TDP1 (0.41) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5208428 0.72 LMNA (0.41) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5213911 0.70 RAB9A (0.38) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL31469380 0.70 MAPK13 (0.54) RAB9ASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL5214223 0.69 ENPP3 (0.53) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5585925 0.68 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL28663639 0.68 CYP11B1 (0.61) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL20805607 0.67 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 RAB9A 4611/4885NPC1 3792/4885SMN1; SMN2 584/4885

“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.