SCHEMBL21166006

SCHEMBL21166006

CCCCC(C)(C)n1nc(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
RECQL P46063 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
GLS O94925 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL21165940 0.81 KMT2A (0.35) TSHRRECQLNPC1RAB9AALDH1A1
SCHEMBL21720004 0.81 KMT2A (0.35) TSHRRECQLNPC1RAB9AALDH1A1
SCHEMBL18773790 0.81 ALDH1A1 (0.39) TSHRNPC1RAB9AALDH1A1KDM4E
SCHEMBL24590365 0.79 KMT2A (0.36) TSHRRECQLNPC1RAB9AALDH1A1
SCHEMBL11481850 0.79 RECQL (0.35) TSHRRECQLNPC1RAB9AALDH1A1
SCHEMBL20626680 0.75 TSHR (0.39) TSHRNPC1RAB9AALDH1A1KDM4E
SCHEMBL2454430 0.72 ALDH1A1 (0.45) TSHRNPC1RAB9AALDH1A1KDM4E
SCHEMBL4988340 0.71 ALDH1A1 (0.41) TSHRRECQLALDH1A1KDM4EGLA
SCHEMBL4464474 0.70 ALDH1A1 (0.39) TSHRNPC1RAB9AALDH1A1KDM4E
SCHEMBL21719851 0.69 ASAH1 (0.36) ASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 TSHR 2599/4885RECQL 1943/4885NPC1 178/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 TSHR 2599/4885RECQL 1943/4885NPC1 178/4885

“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.