SCHEMBL12848562

SCHEMBL12848562

Cc1cnc(N2CCC3=C(C2)c2sc(C(=O)Nc4ccc(F)cc4F)nc2CCC3)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL12848901 0.87 TP53 (0.38) TP53LMNARAB9AMAPTF10
SCHEMBL12848559 0.83 TP53 (0.37) TP53LMNARAB9AMAPTF10
SCHEMBL12848913 0.82 SMYD3 (0.36) TSHRALOX15
SCHEMBL12848912 0.73 SLC27A1 (0.36) TP53LMNARAB9AMAPTSMN1; SMN2
SCHEMBL12848841 0.69 MAPT (0.37) TP53RAB9AMAPTF10SMN1; SMN2
SCHEMBL12848837 0.68 SLC27A1 (0.37) MAPTTSHRALOX15HTTHSD17B10
SCHEMBL12848712 0.68 GSK3B (0.41) TP53LMNARAB9ACYP1A2CYP3A4
SCHEMBL12848457 0.68 IL2 (0.33) LMNARAB9AMAPTCYP1A2CYP2C19
SCHEMBL12848870 0.65 CYP1A2 (0.51) TP53LMNARAB9AMAPTCYP1A2
SCHEMBL12848741 0.64 HTR1F (0.38) TP53RAB9AMAPTKDM4EALDH1A1

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 2 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
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 TP53 862/4885LMNA 4871/4885RAB9A 1908/4885

“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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