SCHEMBL20154181

SCHEMBL20154181

Cc1nc(C(=O)OCc2ccccc2)n(C(=O)OCc2ccccc2)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
STAT1 P42224 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR2C P28335 1/20 0.42
PARP1 P09874 1/20 0.42
HPGD P15428 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
SCHEMBL20154182 0.88 KMT2A (0.53) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL23596652 0.87 KMT2A (0.48) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL23596651 0.87 KMT2A (0.48) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL19820187 0.80 KMT2A (0.47) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL25753534 0.78 TDP1 (0.46) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL20154215 0.76 ALDH1A1 (0.47) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL20154185 0.76 KMT2A (0.57) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL20154164 0.75 ALDH1A1 (0.52) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL6346314 0.75 ALDH1A1 (0.56) KMT2ATDP1SLC6A2SLC6A3RAB9A
SCHEMBL19820181 0.74 ALDH1A1 (0.48) KMT2ATDP1SLC6A2SLC6A3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198222-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-07-01 US disclosed
EP-3538512-B1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2021-06-16 EP disclosed
WO-2021018839-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARASITIC INFECTIONS BAYER ANIMAL HEALTH GMBH (DE) 2021-02-04 WO disclosed
WO-2019002132-A1 NEW AZAQUINOLINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2019-01-03 WO disclosed
WO-2018087036-A1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2018-05-17 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 (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-20210198222-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, CCNA1 KMT2A 2367/4885TDP1 3145/4885SLC6A2 4590/4885

“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.