SCHEMBL3416435

SCHEMBL3416435

COCOc1cnccc1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ERN1 O75460 3/20 0.37
MAPT P10636 2/20 0.35
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
Ethane SCHEMBL28051940 0.98 ALDH1A1 (0.37) ALDH1A1HPGDHTTSMN1; SMN2ERN1
SCHEMBL16096641 0.87 ALDH1A1 (0.38) ALDH1A1HPGDHTTSMN1; SMN2ERN1
SCHEMBL15570938 0.83 CA12 (0.49) ALDH1A1HPGDHTTSMN1; SMN2CA12
SCHEMBL29935810 0.80 ERN1 (0.49) ALDH1A1ERN1MAPTCA12CA1
SCHEMBL1052852 0.80 ERN1 (0.49) ALDH1A1ERN1MAPTCA12CA1
SCHEMBL3417565 0.80 HPGD (0.38) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL3417563 0.80 HPGD (0.38) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL4857523 0.79 ALDH1A1 (0.36) ALDH1A1HPGDHTTSMN1; SMN2ERN1
SCHEMBL28267778 0.79 KDM1A (0.39) MAPTCA12CA1CA2CA9
SCHEMBL26124770 0.78 EGFR (0.36) ALDH1A1HPGDHTTSMN1; SMN2ERN1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294212-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2019-05-21 US disclosed
US-10294212-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2019-05-21 US disclosed
CN-105209449-B Inhibitors of the kynurenine pathway 库拉德夫制药私人有限公司 2019-02-01 CN disclosed
EP-2970173-B1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD (IN) 2018-05-09 EP disclosed
EP-2970173-B1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD (IN) 2018-05-09 EP disclosed
US-20180030026-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PVT LTD 2018-02-01 US disclosed
US-20180030026-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PVT LTD 2018-02-01 US disclosed
US-20180030026-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PVT LTD 2018-02-01 US disclosed
US-9815811-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2017-11-14 US disclosed
US-9815811-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2017-11-14 US disclosed
WO-2014186035-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD. (IN) 2014-11-20 WO disclosed
WO-2014186035-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD. (IN) 2014-11-20 WO disclosed
EP-1554286-B1 FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA NV (BE) 2010-01-27 EP disclosed
CN-100522972-C Fused heterocyclic isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA NV (BE) 2009-08-05 CN disclosed
US-7501418-B2 e.g. 3-[4-(2-Methyl-3-phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-2,5-dioxa-1,7-diaza-dicyclopenta[a,g]naphthalene; serotonine (5-HT) reuptake inhibitor, alpha 2-adrenoceptor antagonist; antidepressant, anxiolytic agent; Parkinson's disease, eating disorders, psychosis, obesity JANSSEN PHARMACEUTICA, N.V. (BE) 2009-03-10 US disclosed
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO disclosed
US-20060116378-A1 Fused heterocyclic isoxazoline derivatives and their use as anti-derpressants JANSSEN-CILAG S.A. (ES) 2006-06-01 US disclosed
CN-1675224-A fused heterocyclic isoxazoline derivatives and their use as antidepressants JANSSEN PHARMACEUTICA NV (BE) 2005-09-28 CN disclosed
EP-1554286-A1 FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-07-20 EP disclosed
WO-2004018483-A1 FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-04 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 (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-10294212-B2 Inhibitors of the kynurenine pathway IDO1, IDO2, KYNU ALDH1A1 909/4885HPGD 72/4885HTT 2003/4885
US-20180030026-A1 INHIBITORS OF THE KYNURENINE PATHWAY IDO1, IDO2, KYNU ALDH1A1 909/4885HPGD 72/4885HTT 2003/4885
US-20060116378-A1 Fused heterocyclic isoxazoline derivatives and their use as anti-derpressants PARK7, HTR7, TPH2 ALDH1A1 991/4885HPGD 367/4885HTT 731/4885

“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.