SCHEMBL13216170

SCHEMBL13216170

Cc1nc(C(=O)O)c(-c2ccc3c(c2)OCO3)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.62
▸ KDM4E B2RXH2 4/20 0.62
▸ PKM P14618 2/20 0.62
▸ HPGD P15428 1/20 0.62
▸ HCRTR1 O43613 3/20 0.50
▸ HCRTR2 O43614 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ TGFBR1 P36897 1/20 0.48
▸ TP53 P04637 2/20 0.47
▸ CTNNB1 P35222 1/20 0.46
▸ DHODH Q02127 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ KMT2A Q03164 2/20 0.43

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
SCHEMBL13216166 0.84 KDM4E (0.65) ALDH1A1KDM4EPKMHPGDHCRTR1
SCHEMBL16433946 0.80 SMN1; SMN2 (0.56) ALDH1A1KDM4EPKMHPGDSMN1; SMN2
SCHEMBL270496 0.77 ALPL (0.47) ALDH1A1HCRTR1HCRTR2MAPK1KMT2A
SCHEMBL12597766 0.76 SMN1; SMN2 (0.51) ALDH1A1KDM4EPKMHPGDSMN1; SMN2
SCHEMBL17621930 0.76 SMN1; SMN2 (0.51) ALDH1A1KDM4EPKMHPGDHCRTR1
SCHEMBL19222069 0.76 SMN1; SMN2 (0.51) ALDH1A1KDM4EPKMHPGDSMN1; SMN2
SCHEMBL268643 0.75 KDM4E (0.49) ALDH1A1KDM4EHPGDHCRTR1HCRTR2
SCHEMBL270041 0.75 HCRTR1 (0.44) HCRTR1HCRTR2DHODH
SCHEMBL923718 0.75 KDM4E (0.53) KDM4EPKMHCRTR1HCRTR2NPC1
SCHEMBL984476 0.74 KMO (0.49) HCRTR1HCRTR2SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160081997-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-24 — — US disclosed
US-20160081997-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-24 — — US disclosed
US-9227935-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICAL N.V. (BE) 2016-01-05 — — US disclosed
US-9227935-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICAL N.V. (BE) 2016-01-05 — — US disclosed
US-20150087629-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-03-26 — — US disclosed
US-20150087629-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-03-26 — — US disclosed
US-8946228-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2015-02-03 — — US disclosed
US-8946228-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2015-02-03 — — US disclosed
EP-2155198-B1 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA NV (BE) 2014-08-13 — — EP disclosed
US-20100210618-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-19 — — US disclosed
US-20100210618-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-19 — — US disclosed
WO-2008148849-A2 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-11 — — 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 (3 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-20100210618-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, DGAT2, NAT1 ALDH1A1 150/4885KDM4E 3597/4885PKM 4026/4885
US-20150087629-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, NAT1, SOAT1 ALDH1A1 189/4885KDM4E 3538/4885PKM 4030/4885
US-20160081997-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, DGAT2, SOAT1 ALDH1A1 231/4885KDM4E 3529/4885PKM 4049/4885

“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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