SCHEMBL19781563

SCHEMBL19781563

CC(C)Oc1ccc(CC#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A3 P47895 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.41
ACACB O00763 4/20 0.41
PARP10 Q53GL7 1/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
P2RX3 P56373 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
KDM4A O75164 1/20 0.39
MAPT P10636 1/20 0.39
KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL6573779 0.85 PKM (0.40) POLBCYP1A2GAACYP2D6CYP2C19
SCHEMBL28035017 0.85 PKM (0.40) POLBCYP1A2GAACYP2D6CYP2C19
Ethane SCHEMBL11166229 0.81 ACACB (0.40) POLBALDH1A1LMNAPKMKMT2A
SCHEMBL8598673 0.80 L3MBTL1 (0.41) POLBGAAALDH1A1PKMKMT2A
SCHEMBL10778117 0.80 POLB (0.50) POLBCYP1A2GAACYP2D6CYP2C19
SCHEMBL349208 0.80 LMNA (0.42) POLBGAAALDH1A1LMNAPKM
SCHEMBL8109421 0.79 POLB (0.46) POLBCYP1A2GAACYP2D6CYP2C19
SCHEMBL7680083 0.78 ENPP2 (0.45) GAAALDH1A1KMT2AACACBKDM4E
SCHEMBL20778612 0.77 POLB (0.47) POLBCYP1A2GAACYP2D6CYP2C19
SCHEMBL10953849 0.77 MAPT (0.45) POLBCYP2D6CYP2C19ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281825-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2022-09-08 US disclosed
US-11352328-B2 Heterocyclic compounds for the treatment of arenavirus ARISAN THERAPEUTICS INC. (US) 2022-06-07 US disclosed
US-11352328-B2 Heterocyclic compounds for the treatment of arenavirus ARISAN THERAPEUTICS INC. (US) 2022-06-07 US disclosed
US-20190308938-A1 Heterocyclic Compounds for the Treatment of Arenavirus NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-10-10 US disclosed
US-20190308938-A1 Heterocyclic Compounds for the Treatment of Arenavirus NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-10-10 US disclosed
WO-2018013430-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2018-01-18 WO disclosed
WO-2018013430-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2018-01-18 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 (3 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-20220281825-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION C9, C1S, ZC3HAV1 POLB 3765/4885CYP1A2 1811/4885GAA 1416/4885
US-11352328-B2 Heterocyclic compounds for the treatment of arenavirus C9, C1R, C1S POLB 3563/4885CYP1A2 1889/4885GAA 1151/4885
US-20190308938-A1 Heterocyclic Compounds for the Treatment of Arenavirus C9, C1R, C1S POLB 3563/4885CYP1A2 1889/4885GAA 1151/4885

“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.