SCHEMBL12848901

SCHEMBL12848901

O=C(Nc1ccc(F)cc1F)c1nc2c(s1)C1=C(CCC2)CCN(c2nccs2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ POLB P06746 1/20 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
▸ SLC27A1 Q6PCB7 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ F10 P00742 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
SCHEMBL12848562 0.87 TP53 (0.37) TP53LMNAALDH1A1PKMRAB9A
SCHEMBL12848912 0.86 SLC27A1 (0.36) TP53LMNAALDH1A1RAB9ANPC1
SCHEMBL12848559 0.82 TP53 (0.37) TP53LMNARAB9ANPC1SMN1; SMN2
SCHEMBL12848837 0.81 SLC27A1 (0.37) ALOX15HTTHSD17B10SLC27A1MAPT
SCHEMBL12848446 0.77 HPGD (0.37) HTTHSD17B10SLC27A1
SCHEMBL12848741 0.76 HTR1F (0.38) TP53ALDH1A1RAB9ANPC1TDP1
SCHEMBL17375195 0.71 LMNA (0.39) LMNAALDH1A1PKMRAB9ANPC1
SCHEMBL12848445 0.69 MEN1 (0.38) TP53LMNAALDH1A1RAB9ANPC1
SCHEMBL12848457 0.68 IL2 (0.33) LMNAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL12848841 0.68 MAPT (0.37) TP53ALDH1A1RAB9ANPC1SMN1; SMN2

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 4871/4885ALDH1A1 644/4885

“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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