SCHEMBL19686789

SCHEMBL19686789

OCCN(CCO)c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CO)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 15/20 0.43
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
CDK5 Q00535 3/20 0.36
CDK5R1 Q15078 3/20 0.36
IDH2 P48735 1/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CCNT1 O60563 1/20 0.31
CCND3 P30281 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
CCNH P51946 1/20 0.31
MNAT1 P51948 1/20 0.31
CDK6 Q00534 1/20 0.31
SLC29A1 Q99808 1/20 0.30

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
SCHEMBL19686790 0.90 IDH1 (0.42) IDH1IDH2ALDH1A1LMNA
SCHEMBL19686822 0.83 IDH1 (0.47) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL19686311 0.83 IDH1 (0.47) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL24061524 0.81 IDH1 (0.43) IDH1IDH2
SCHEMBL19686825 0.80 IDH1 (0.44) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL31127207 0.78 IDH1 (0.42) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL21143761 0.78 IDH1 (0.42) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL19687511 0.78 IDH1 (0.42) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL21144172 0.78 IDH1 (0.46) IDH1CCNA2CDK2CDK5CDK5R1
SCHEMBL31127071 0.78 IDH1 (0.46) IDH1CCNA2CDK2CDK5CDK5R1

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
US-20240317705-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2024-09-26 US disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 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-20240317705-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885CCNA2 4797/4885CDK2 4098/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885CCNA2 4797/4885CDK2 4098/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885CCNA2 4797/4885CDK2 4098/4885

“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.