SCHEMBL10150244

SCHEMBL10150244

c1ccc(-c2nc3c(c(N4CCCC4)n2)CCCC3)nc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
METAP1 P53582 2/20 0.59
MAPK1 P28482 2/20 0.59
LMNA P02545 1/20 0.59
TSHR P16473 1/20 0.59
KMT2A Q03164 1/20 0.59
CFTR P13569 14/20 0.50
MAPT P10636 1/20 0.48
PPP1CA P62136 1/20 0.48
HIF1A Q16665 1/20 0.48
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL30302475 0.99 RAB9A (0.61) RAB9ATDP1L3MBTL1METAP1MAPK1
SCHEMBL10150248 0.99 RAB9A (0.61) RAB9ATDP1L3MBTL1METAP1MAPK1
SCHEMBL23975644 0.96 TDP1 (0.61) RAB9ATDP1L3MBTL1METAP1MAPK1
SCHEMBL10150251 0.90 RAB9A (0.48) RAB9ATDP1L3MBTL1METAP1MAPK1
SCHEMBL10150246 0.90 METAP1 (0.61) RAB9ATDP1L3MBTL1METAP1MAPK1
SCHEMBL10150254 0.89 CFTR (0.50) RAB9ATDP1L3MBTL1METAP1MAPK1
SCHEMBL23976131 0.88 RAB9A (0.49) RAB9ATDP1L3MBTL1METAP1MAPK1
SCHEMBL23976265 0.87 RAB9A (0.48) RAB9ATDP1L3MBTL1METAP1MAPK1
SCHEMBL23975713 0.87 HIF1A (0.53) RAB9ATDP1L3MBTL1METAP1MAPK1
SCHEMBL23975643 0.87 METAP1 (0.61) RAB9ATDP1L3MBTL1METAP1MAPK1

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-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-7968545-B2 Compositions useful as inhibitors of voltage-gated ion channels VERTEX PHARMACEUTICALS INC. (US) 2011-06-28 US disclosed
US-7968545-B2 Compositions useful as inhibitors of voltage-gated ion channels VERTEX PHARMACEUTICALS INC. (US) 2011-06-28 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-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS KCNQ1, KCNN2, KCNH3 RAB9A 1702/4885TDP1 2247/4885L3MBTL1 4012/4885

“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.