SCHEMBL21168435

SCHEMBL21168435

NC(=O)c1ccc2c(c1)CC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM1A O60341 2/20 0.53
SIRT2 Q8IXJ6 2/20 0.49
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
KMT2A Q03164 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LCK P06239 1/20 0.45
PARP1 P09874 4/20 0.43
SMYD3 Q9H7B4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL368131 0.91 ALDH1A1 (0.62) HSD17B3ALDH1A1KDM1AMEN1NPC1
SCHEMBL1719205 0.91 ALDH1A1 (0.68) HSD17B3ALDH1A1KDM1ATSHRMEN1
SCHEMBL29543577 0.91 ALDH1A1 (0.68) HSD17B3ALDH1A1KDM1ATSHRMEN1
SCHEMBL29410879 0.91 ALDH1A1 (0.62) HSD17B3ALDH1A1KDM1AMEN1NPC1
Hydrochloric Acid SCHEMBL28389380 0.90 ALDH1A1 (0.60) HSD17B3ALDH1A1KDM1AMEN1NPC1
SCHEMBL16526953 0.90 ALDH1A1 (0.60) HSD17B3ALDH1A1KDM1AMEN1NPC1
SCHEMBL26848155 0.86 ALDH1A1 (0.47) HSD17B3ALDH1A1KDM1ASIRT2TSHR
Sulfuric Acid SCHEMBL27798096 0.85 ALDH1A1 (0.59) HSD17B3ALDH1A1KDM1AMEN1NPC1
SCHEMBL5831452 0.85 HSD17B3 (0.48) HSD17B3ALDH1A1KDM1ASIRT2TSHR
SCHEMBL3440292 0.85 ALDH1A1 (0.54) HSD17B3ALDH1A1KDM1ASIRT2SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4279913-A2 ACOUSTIC WAVE SENSORS AND METHODS OF SENSING A GAS-PHASE ANALYT Rohm and Haas Electronic Materials LLC (US) 2023-11-22 EP disclosed
EP-3511709-B1 ACOUSTIC WAVE SENSORS AND METHODS OF SENSING A GAS-PHASE ANALYTE ROHM & HAAS ELECT MAT (US) 2023-11-01 EP disclosed
US-20220135539-A1 BIARYL AMIDE COMPOUNDS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-05-05 US disclosed
US-10794866-B2 Acoustic wave sensors and methods of sensing a gas-phase analyte ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2020-10-06 US disclosed
US-20190219543-A1 ACOUSTIC WAVE SENSORS AND METHODS OF SENSING A GAS-PHASE ANALYTE U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2019-07-18 US disclosed
EP-3511709-A1 ACOUSTIC WAVE SENSORS AND METHODS OF SENSING A GAS-PHASE ANALYTE Rohm and Haas Electronic Materials LLC (US) 2019-07-17 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-20220135539-A1 BIARYL AMIDE COMPOUNDS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF BRAF, NRAS, RAF1 HSD17B3 2275/4885ALDH1A1 1618/4885KDM1A 3057/4885

“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.