SCHEMBL20177092

SCHEMBL20177092

O=C(Nc1cccc(Br)c1)OCCCl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
HPGD P15428 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 1/20 0.49
TGM2 P21980 1/20 0.49
LMNA P02545 1/20 0.48
MGLL Q99685 1/20 0.48
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
THRB P10828 2/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL30633435 0.83 MEN1 (0.68) HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL1412559 0.83 MEN1 (0.68) HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL8211532 0.82 RAB9A (0.71) GAAHPGDALDH1A1RAB9ANPC1
SCHEMBL10192104 0.82 HSD17B10 (0.54) HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL9202177 0.82 HPGD (0.57) HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL30599548 0.81 MAPT (0.66) GAAHPGDALDH1A1RAB9ANPC1
SCHEMBL1188378 0.81 MAPT (0.66) GAAHPGDALDH1A1RAB9ANPC1
SCHEMBL24218876 0.81 RAB9A (0.51) GAAHPGDALDH1A1KMT2AMEN1
SCHEMBL8250834 0.81 MEN1 (0.58) HPGDALDH1A1KMT2AMEN1RAB9A
SCHEMBL698170 0.81 HPGD (0.59) HPGDKMT2AMEN1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110139862-B Substituted bicyclic heterocyclic derivatives useful as ROMK channel inhibitors 百时美施贵宝公司 2024-01-16 CN disclosed
EP-3535258-B1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-11-24 EP disclosed
US-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-28 US disclosed
CN-110139862-A It can be used as the bicyclic heterocycles derivative of ROMK channel inhibitor being substituted 百时美施贵宝公司 2019-08-16 CN disclosed
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-15 US disclosed
WO-2018093569-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 WO 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 (2 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-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors KCNB1, CACNA1E, GRK1 GAA 4732/4885HPGD 2489/4885ALDH1A1 2047/4885
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS KCNB1, CACNA1E, GRK1 GAA 4732/4885HPGD 2489/4885ALDH1A1 2047/4885

“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.