SCHEMBL19902999

SCHEMBL19902999

Cc1nc(-c2ccccc2C(=O)O)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.66
NPC1 O15118 4/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
ECE1 P42892 2/20 0.55
KDM4E B2RXH2 3/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
STAT1 P42224 2/20 0.49
KDM4A O75164 1/20 0.49
KDM4B O94953 1/20 0.49
KDM5C P41229 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
MYC P01106 1/20 0.47

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
SCHEMBL30006556 1.00 RAB9A (0.66) RAB9ANPC1SMN1; SMN2ECE1KDM4E
SCHEMBL27886900 0.83 ECE1 (0.51) RAB9ANPC1SMN1; SMN2ECE1KDM4E
SCHEMBL1339930 0.82 RAB9A (0.68) RAB9ANPC1SMN1; SMN2KDM4EKDM4A
SCHEMBL26643227 0.81 RAB9A (0.50) RAB9ANPC1SMN1; SMN2ECE1KDM4E
SCHEMBL31597120 0.81 RAB9A (0.66) RAB9ANPC1SMN1; SMN2KDM4ESTAT1
SCHEMBL2800244 0.79 RAB9A (1.00) RAB9ANPC1SMN1; SMN2KDM4ESTAT1
SCHEMBL22383456 0.79 ALDH1A1 (0.61) RAB9ANPC1SMN1; SMN2POLBHTT
SCHEMBL23742612 0.78 RAB9A (0.76) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL13475977 0.76 GRM5 (0.54) RAB9ASMN1; SMN2ECE1KDM4EPOLB
SCHEMBL1093303 0.76 SMN1; SMN2 (0.60) RAB9ANPC1SMN1; SMN2ECE1KDM4E

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-20180155333-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180155333-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
EP-3287454-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-28 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-20180155333-A1 Heterocyclic Compound HCRTR1, HCRTR2, OXTR RAB9A 2077/4885NPC1 666/4885SMN1; SMN2 2216/4885

“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.