SCHEMBL21566438

SCHEMBL21566438

CCCCCCCC(CCCC)c1cnn(C)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
DNM1 Q05193 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL19772422 1.00 NR1I2 (0.35) NR1I2NPC1RAB9ADNM1MEN1
SCHEMBL23172210 0.98 NR1I2 (0.36) NR1I2NPC1RAB9AMEN1KMT2A
SCHEMBL18948523 0.98 NR1I2 (0.36) NR1I2NPC1RAB9AMEN1KMT2A
SCHEMBL20122136 0.98 NR1I2 (0.36) NR1I2NPC1RAB9AMEN1KMT2A
SCHEMBL26771643 0.88 NR1I2 (0.36) NR1I2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL25718332 0.84 IDO1 (0.32) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL18885072 0.83 NR1I2 (0.35) NR1I2DNM1KMT2AALDH1A1
SCHEMBL20273118 0.83 NPC1 (0.35) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL23172597 0.81 NR1I2 (0.36) NR1I2LMNA
SCHEMBL23172413 0.81 NR1I2 (0.36) NR1I2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-12-29 US disclosed
US-20200338087-A9 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
US-20190343842-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-11-14 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 (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-20190343842-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS SIK1, SIK3, SIK2 NR1I2 1569/4885NPC1 3704/4885RAB9A 2450/4885
US-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION BCL9, BCL9L, BCL6 NR1I2 1178/4885NPC1 928/4885RAB9A 21/4885
US-20200338087-A9 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS SIK1, SIK3, SIK2 NR1I2 1569/4885NPC1 3704/4885RAB9A 2450/4885

“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.