SCHEMBL4899528

SCHEMBL4899528

Cc1nc(NC(=O)c2cccc(C(F)(F)F)c2)sc1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
KCNK3 O14649 2/20 0.52
KCNK9 Q9NPC2 1/20 0.52
LMNA P02545 2/20 0.52
P2RX1 P51575 1/20 0.51
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 1/20 0.48
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
KCNE1 P15382 1/20 0.48
KCNQ1 P51787 1/20 0.48
KCNQ5 Q9NR82 1/20 0.48
PTGS1 P23219 1/20 0.48

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
SCHEMBL4201209 0.84 RAB9A (0.59) RAB9AMEN1KMT2AGAAHTT
SCHEMBL1465580 0.81 CNR2 (0.49) MEN1KMT2AGAALMNASMN1; SMN2
SCHEMBL17732529 0.80 LMNA (0.56) RAB9AMEN1KMT2AGAAHTT
SCHEMBL774334 0.78 LCK (0.73) RAB9ANPC1SMN1; SMN2
SCHEMBL14468043 0.77 MAP3K5 (0.67) RAB9AMEN1KMT2AHTTKCNK3
SCHEMBL17732531 0.77 SCD (0.58) RAB9AMEN1KMT2AGAAHTT
SCHEMBL3577640 0.77 SCD (0.61) RAB9ALMNANPC1SMN1; SMN2ALDH1A1
SCHEMBL18230324 0.76 TLR7 (0.54) GAAKCNK3LMNAP2RX1MAPT
SCHEMBL18230391 0.76 ADORA2A (0.49) LMNAMAPTNPSR1
SCHEMBL14808404 0.76 DHODH (0.78) RAB9AMEN1KMT2AHTTLMNA

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-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
EP-1820504-A1 IMINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-08-22 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 RAB9A 841/4885MEN1 761/4885KMT2A 2604/4885

“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.