SCHEMBL19628293

SCHEMBL19628293

O=C(OCc1ccccc1)c1c2n(c3ccc(Br)cc13)COc1cc(Br)ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 4/20 0.37
GAA P10253 4/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
PKM P14618 2/20 0.37
TP53 P04637 1/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
PLA2G2A P14555 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
AKR1B1 P15121 2/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1A1 P14550 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL19929298 0.86 GAA (0.41) PRKCZMAPTGAALMNAKDM4E
SCHEMBL19628290 0.73 PRKCZ (0.36) PRKCZ
SCHEMBL10173672 0.71 MAPT (0.36) MAPTLMNAALDH1A1KMT2A
SCHEMBL19628291 0.68 MAPT (0.50) MAPTGAALMNAKDM4EALDH1A1
SCHEMBL16920140 0.66 NPC1 (0.43) MAPTGAALMNAKDM4EPKM
SCHEMBL21519749 0.65 TDP1 (0.53) TSHRMAPTLMNATP53ALDH1A1
SCHEMBL14469746 0.64 TSHR (0.40) PRKCZTSHRMAPTLMNATP53
SCHEMBL7658905 0.63 ALDH1A1 (0.61) TSHRMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL29020301 0.63 SRD5A2 (0.47) TSHRALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL23439854 0.63 ALDH1A1 (0.47) TSHRMAPTLMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180065985-A1 PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS MERCK SHARPE & DOHME CORP. (US) 2018-03-08 US disclosed
US-20170334926-A1 PROCESS FOR PREPARING SUBSTITUTED INDOLE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-11-23 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 (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-20170334926-A1 PROCESS FOR PREPARING SUBSTITUTED INDOLE COMPOUNDS IDO1, IDO2, TPH1 PRKCZ 4391/4885TSHR 1228/4885MAPT 2778/4885
US-20180065985-A1 PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS CYP1B1, CYP1A2, CYP2F1 PRKCZ 4187/4885TSHR 541/4885MAPT 4031/4885

“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.