SCHEMBL19975412

SCHEMBL19975412

COc1ccccc1C(=O)NC(C)C(O)C(=O)NCC1CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
CTSD P07339 1/20 0.46
MTTP P55157 1/20 0.45
KCNA3 P22001 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RX7 Q99572 1/20 0.44
FAAH O00519 1/20 0.44
CNR2 P34972 1/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL19974935 0.85 HPGD (0.44) HPGDALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL19974926 0.84 SMN1; SMN2 (0.47) ALDH1A1KDM4ELMNASMN1; SMN2P2RX7
SCHEMBL21183528 0.84 SMN1; SMN2 (0.57) HPGDALDH1A1TDP1KDM4ELMNA
SCHEMBL19974961 0.84 POLB (0.45) ALDH1A1MTTPKDM4ELMNASMN1; SMN2
SCHEMBL19975297 0.83 CHRM2 (0.40) HPGDALDH1A1TP53LMNAP2RX7
SCHEMBL28316787 0.82 F10 (0.41) ALDH1A1MTTPKDM4ESMN1; SMN2MEN1
SCHEMBL30848453 0.81 HPGD (0.60) HPGDALDH1A1TP53GLACTSD
SCHEMBL19975275 0.81 F10 (0.47) ALDH1A1MTTPKDM4ELMNASMN1; SMN2
SCHEMBL19975132 0.81 HPGD (0.50) HPGDALDH1A1TP53GLACTSD
SCHEMBL19974734 0.78 ITGAV (0.47) HPGDALDH1A1TP53L3MBTL1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C HPGD 1205/4885ALDH1A1 2271/4885TP53 3256/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C HPGD 1156/4885ALDH1A1 2673/4885TP53 3198/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C HPGD 1205/4885ALDH1A1 2271/4885TP53 3256/4885

“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.