SCHEMBL12797006

SCHEMBL12797006

O=C(Nc1cnc2c(n1)CCCc1ccc(-n3ccnc3)cc1-2)c1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ADH5 P11766 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ RORC P51449 5/20 0.35
▸ CD38 P28907 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ CRACR2A Q9BSW2 1/20 0.35
▸ ABL1 P00519 2/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ RORA P35398 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ RORB Q92753 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL12796909 0.86 GPR142 (0.37) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12796745 0.85 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12796898 0.84 IL2 (0.36) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12796908 0.83 STIM1 (0.41) ADH5CD38
SCHEMBL12848757 0.81 MEN1 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12848953 0.80 ADORA2B (0.44) MEN1KMT2ALMNAALDH1A1GFER
SCHEMBL14222427 0.76 MEN1 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12796180 0.76 ROCK2 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12848563 0.74 ADH5 (0.36) ADH5HDAC1CD38ABL1ROCK2
SCHEMBL14172604 0.74 RAB9A (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 — — WO 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 (1 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 NPC1 1042/4885RAB9A 1908/4885SMN1; SMN2 4820/4885

“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.

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