SCHEMBL336115

SCHEMBL336115

CCn1nccc1C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
SLC13A5 Q86YT5 1/20 0.36

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
SCHEMBL262196 0.84 MEN1 (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL16963334 0.82 KMT2A (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL29158106 0.81 KMT2A (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8566843 0.79 KMT2A (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL23361461 0.79 KMT2A (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL24937400 0.79 L3MBTL1 (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL21617355 0.79 KMT2A (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL25457865 0.79 KMT2A (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7948229 0.79 KMT2A (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17452804 0.79 RAB9A (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4183783-A1 IMMUNOMODULATOR Hitgen Inc. (CN) 2023-05-24 EP disclosed
WO-2021027722-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2021-02-18 WO disclosed
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
EP-1937264-B1 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK SHARP & DOHME (US) 2011-06-08 EP disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP 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-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 KMT2A 2302/4885MEN1 363/4885ALDH1A1 1252/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 KMT2A 939/4885MEN1 2456/4885ALDH1A1 1939/4885

“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.