SCHEMBL14084029

SCHEMBL14084029

CO[C@H](c1ccc(-c2cnc(N)s2)cc1)[C@H](N)CF

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CSNK2A1 P68400 1/20 0.43
▸ QPCT Q16769 1/20 0.38
▸ QPCTL Q9NXS2 1/20 0.38
▸ POLB P06746 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ AOC3 Q16853 2/20 0.32
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PI4KA P42356 1/20 0.30
▸ PI4KB Q9UBF8 1/20 0.30
▸ FTO Q9C0B1 2/20 0.30
▸ ALKBH5 Q6P6C2 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL20026376 0.86 NPC1 (0.34) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL20026369 0.80 HDAC4 (0.36) —
SCHEMBL13527604 0.80 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL20026324 0.80 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL20026159 0.80 MAPT (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL14024027 0.76 CYP2D6 (0.45) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL19062561 0.76 ATM (0.35) —
SCHEMBL17490437 0.76 ATM (0.35) —
SCHEMBL20026213 0.76 PIK3CD (0.35) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL19063237 0.76 PIK3CD (0.35) PIK3CDPIK3CAPIK3CBPI4KAPI4KB

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-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 — — US disclosed
WO-2008106225-A1 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-09-04 — — 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-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same IL33, PROKR1, VIP NPC1 2314/4885RAB9A 3342/4885SMN1; SMN2 4598/4885

“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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