SCHEMBL4978739

SCHEMBL4978739

COc1ccc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)nc1Br

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.33
NQO2 P16083 2/20 0.33
PKM P14618 1/20 0.30
EP300 Q09472 1/20 0.30
KAT8 Q9H7Z6 1/20 0.30
NPC1 O15118 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
KCNA5 P22460 1/20 0.30
TP53 P04637 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL4984988 0.79 DRD2 (0.34) NQO2NPC1RAB9AMAPTRXFP1
SCHEMBL4134240 0.77 KCNH2 (0.38)
SCHEMBL1181594 0.76 ATM (0.35)
SCHEMBL27610986 0.76 IDO1 (0.51) NPC1RAB9AMAPTKMT2A
SCHEMBL4983754 0.74 ERN1 (0.34) MAPT
SCHEMBL8172914 0.73 MAPT (0.37) PKMNPC1TSHRRAB9AMAPT
SCHEMBL5549739 0.73 TACR1 (0.35) NQO2KMT2ATP53RXFP1
SCHEMBL22774158 0.73 SMYD2 (0.32)
SCHEMBL9174404 0.73 SMN1; SMN2 (0.42) NPC1RAB9AKMT2A
SCHEMBL14126456 0.72 NQO2 (0.35) NQO2TSHRMAPTKMT2ATP53

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-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
EP-1847535-A1 1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-10-24 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-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives TPH1, HTR1D, HTR1B CTSA 3431/4885NQO2 566/4885PKM 2796/4885

“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.