SCHEMBL578108

SCHEMBL578108

CN(C)C1CCCCC1Nc1nc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ POLB P06746 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.49
▸ KCNN3 Q9UGI6 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL578109 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL578122 0.83 KAT2B (0.51) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL578123 0.83 KAT2B (0.51) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL577712 0.80 RIPK1 (0.44) KCNN3GAA
SCHEMBL577711 0.80 RIPK1 (0.44) KCNN3GAA
SCHEMBL27898220 0.77 RIPK1 (0.62) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL578135 0.77 KAT2B (0.40) —
SCHEMBL578134 0.77 KAT2B (0.40) —
SCHEMBL14155576 0.76 RIPK1 (0.65) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL28406604 0.74 HDAC6 (0.57) NPC1RAB9ASMN1; SMN2POLBTDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073823-B2 Compound having hetero ring skeleton, and process for producing optically active compound using the aforementioned compound as asymmetric catalyst KYOTO UNIVERSITY (JP) 2015-07-07 — — US disclosed
US-8580804-B2 Compound having hetero ring skeleton, and process for producing optically active compound using the aforementioned compound as asymmetric catalyst KYOTO UNIVERSITY (JP) 2013-11-12 — — US disclosed
US-20130245257-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-19 — — US disclosed
EP-2418204-B1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST UNIV KYOTO (JP) 2013-07-24 — — EP disclosed
US-20120095227-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-19 — — US disclosed
EP-2418204-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST Kyoto University (JP) 2012-02-15 — — EP 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 (2 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-20130245257-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST COASY, LSS, INF2 NPC1 1671/4885RAB9A 1214/4885SMN1; SMN2 3118/4885
US-20120095227-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST CCNL2, ASH2L, AHR NPC1 4296/4885RAB9A 2308/4885SMN1; SMN2 2845/4885

“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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