SCHEMBL16376291

SCHEMBL16376291

Cc1cc(F)n2cc(C)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
COMT P21964 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
CHRM1 P11229 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
SCHEMBL13403196 0.79 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2COMTNPC1
SCHEMBL26032200 0.77 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2
SCHEMBL13325711 0.75 SMN1; SMN2 (0.54) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL13325761 0.69 MAPT (0.46) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL24663000 0.68 KDM4E (0.40) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL26270558 0.67 ADORA2A (0.30) KDM4EALDH1A1
SCHEMBL25789221 0.65 ADORA2A (0.42) KDM4EALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL25096397 0.64 TLR9 (0.40) KDM4EALDH1A1SMN1; SMN2CYP11B1CYP11B2
SCHEMBL3607350 0.64 KDM4E (0.35) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL13796383 0.64 NPC1 (0.37) KDM4EALDH1A1NPC1MAPTRAB9A

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
US-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2024-02-29 US disclosed
US-11753407-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
US-20180105526-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2018-04-19 US disclosed
US-9879007-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2018-01-30 US disclosed
US-20170129885-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2017-05-11 US disclosed
US-9586955-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-03-07 US disclosed
US-20150005289-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2015-01-01 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 (5 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-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 KDM4E 2384/4885ALDH1A1 1088/4885HSD17B10 863/4885
US-20150005289-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 KDM4E 1926/4885ALDH1A1 1461/4885HSD17B10 952/4885
US-20180105526-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 KDM4E 1926/4885ALDH1A1 1461/4885HSD17B10 952/4885
US-20170129885-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 KDM4E 1926/4885ALDH1A1 1461/4885HSD17B10 952/4885
US-11753407-B2 Compounds for treating spinal muscular atrophy SMN1; SMN2, CPT1B, GYS1 KDM4E 1370/4885ALDH1A1 1651/4885HSD17B10 1533/4885

“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.