SCHEMBL16998564

SCHEMBL16998564

CC(C)(C)n1ncc(OCc2ccc(COCCO)nc2)c(Cl)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 2/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
GPR183 P32249 1/20 0.41
GPR35 Q9HC97 1/20 0.41
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 2/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
POLB P06746 1/20 0.35
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL16998559 0.92 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL1629038 0.91 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL15565441 0.88 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL16901882 0.87 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL15566236 0.86 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL16998539 0.86 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL15565322 0.85 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL15565244 0.84 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL16901967 0.84 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL15564368 0.84 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9872928-B2 Diagnostic agent for therapeutic effect on cancer HAMAMATSU PHOTONICS K.K. (JP) 2018-01-23 US disclosed
US-9872928-B2 Diagnostic agent for therapeutic effect on cancer HAMAMATSU PHOTONICS K.K. (JP) 2018-01-23 US disclosed
US-9598399-B2 Compound suitable for detection of mitochondrial complex-1 HAMAMATSU PHOTONICS K.K. (JP) 2017-03-21 US disclosed
US-9598399-B2 Compound suitable for detection of mitochondrial complex-1 HAMAMATSU PHOTONICS K.K. (JP) 2017-03-21 US disclosed
US-20160256578-A1 DIAGNOSTIC AGENT FOR THERAPEUTIC EFFECT ON CANCER HAMAMATSU PHOTONICS K.K. (JP) 2016-09-08 US disclosed
US-20160256578-A1 DIAGNOSTIC AGENT FOR THERAPEUTIC EFFECT ON CANCER HAMAMATSU PHOTONICS K.K. (JP) 2016-09-08 US disclosed
US-20150225368-A1 COMPOUND SUITABLE FOR DETECTION OF MITOCHONDRIAL COMPLEX-1 HAMAMATSU PHOTONICS K.K. (JP) 2015-08-13 US disclosed
US-20150225368-A1 COMPOUND SUITABLE FOR DETECTION OF MITOCHONDRIAL COMPLEX-1 HAMAMATSU PHOTONICS K.K. (JP) 2015-08-13 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-20160256578-A1 DIAGNOSTIC AGENT FOR THERAPEUTIC EFFECT ON CANCER NOC2L, NOP56, NPM1 SMN1; SMN2 1322/4885RAB9A 3364/4885NPC1 187/4885
US-20150225368-A1 COMPOUND SUITABLE FOR DETECTION OF MITOCHONDRIAL COMPLEX-1 MT-ND1, MT-CO1, UQCRC1 SMN1; SMN2 1449/4885RAB9A 2946/4885NPC1 508/4885

“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.