SCHEMBL18580946

SCHEMBL18580946

COC(=O)c1ccc2c(c1)N(C(=O)c1ccccc1)CCO2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
CYP2C9 P11712 1/20 0.54
NR3C2 P08235 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 5/20 0.47
NAAA Q02083 2/20 0.47
KMT2A Q03164 1/20 0.47
NOTUM Q6P988 1/20 0.46
FAAH O00519 2/20 0.44
THRB P10828 2/20 0.44
TP53 P04637 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL18593276 0.89 THRB (0.56) POLBCYP2C9ALDH1A1MAPTKMT2A
SCHEMBL5012624 0.86 POLB (0.70) POLBCYP2C9NR3C2MAPTNAAA
SCHEMBL5010850 0.85 POLB (0.58) POLBCYP2C9NR3C2MAPTNAAA
SCHEMBL18581314 0.84 POLB (0.56) POLBNR3C2ALDH1A1MAPTNAAA
SCHEMBL4890179 0.84 CYP2C9 (0.50) POLBCYP2C9NR3C2ALDH1A1MAPT
SCHEMBL17276259 0.81 CYP2C9 (0.55) POLBCYP2C9ALDH1A1MAPTKMT2A
SCHEMBL21382774 0.80 CYP2C9 (0.65) POLBCYP2C9ALDH1A1KMT2ANPC1
SCHEMBL18581808 0.80 CYP2C9 (0.53) POLBCYP2C9ALDH1A1MAPTTHRB
SCHEMBL2881942 0.80 CYP2C9 (0.53) CYP2C9ALDH1A1MAPTNOTUMTHRB
SCHEMBL18581215 0.79 CYP2C9 (0.54) CYP2C9ALDH1A1MAPTKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2023-12-21 US disclosed
US-11414392-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO HEALTH, INC. (US) 2022-08-16 US disclosed
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2021-05-13 US disclosed
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2021-05-13 US disclosed
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 US disclosed
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 US disclosed
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2019-10-10 US disclosed
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2019-10-10 US disclosed
US-10370343-B2 [6,6] Fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-08-06 US disclosed
US-10370343-B2 [6,6] Fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-08-06 US disclosed
US-20180354919-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2018-12-13 US disclosed
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 US disclosed
WO-2017040963-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-03-09 WO disclosed
WO-2017040963-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-03-09 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 (9 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-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 POLB 2819/4885CYP2C9 874/4885NR3C2 580/4885
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 POLB 2819/4885CYP2C9 874/4885NR3C2 580/4885
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 POLB 2819/4885CYP2C9 874/4885NR3C2 580/4885
US-20180354919-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 POLB 2819/4885CYP2C9 874/4885NR3C2 580/4885
US-10370343-B2 [6,6] Fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 POLB 2819/4885CYP2C9 874/4885NR3C2 580/4885
US-11414392-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 POLB 2819/4885CYP2C9 874/4885NR3C2 580/4885
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 POLB 2819/4885CYP2C9 874/4885NR3C2 580/4885
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC1, HDAC2 POLB 2117/4885CYP2C9 2641/4885NR3C2 347/4885
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 POLB 2819/4885CYP2C9 874/4885NR3C2 580/4885

“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.