SCHEMBL940253

SCHEMBL940253

O=C(O)Cc1c(Cl)cncc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.59
PDE4D Q08499 7/20 0.45
P2RX7 Q99572 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
GABRA1 P14867 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
GABRR1 P24046 1/20 0.41
GABRR2 P28476 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PMP22 Q01453 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
CA2 P00918 1/20 0.38
PDE4A P27815 2/20 0.38
HCAR2 Q8TDS4 1/20 0.38

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
Hydrochloric Acid SCHEMBL7356687 0.98 AKR1B1 (0.57) AKR1B1PDE4DP2RX7ALDH1A1CYP3A4
SCHEMBL17682388 0.86 AKR1B1 (0.46) AKR1B1PDE4DP2RX7ALDH1A1CYP3A4
SCHEMBL17681792 0.86 AKR1B1 (0.46) AKR1B1PDE4DP2RX7ALDH1A1CYP3A4
SCHEMBL7356678 0.82 PDE4D (0.45) AKR1B1PDE4DP2RX7PDE4APDE4B
SCHEMBL4362290 0.82 AKR1B1 (0.42) AKR1B1PDE4DALDH1A1CYP3A4MAPT
SCHEMBL4362286 0.82 AKR1B1 (0.42) AKR1B1PDE4DALDH1A1CYP3A4MAPT
SCHEMBL7354463 0.75 PDE4D (0.51) PDE4DALDH1A1MAPTPDE4APDE4B
SCHEMBL109215 0.74 AKR1B1 (1.00) AKR1B1CYP3A4TSHRKDM4EMAPT
SCHEMBL5191843 0.74 AKR1B1 (0.61) AKR1B1ALDH1A1CYP3A4TSHRKDM4E
Hydrochloric Acid SCHEMBL1374156 0.73 AKR1B1 (0.95) AKR1B1CYP3A4KDM4EMAPTPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254416-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2016-09-07 EP disclosed
US-8653078-B2 Herbicidal pyrido[2,3-b]pyrazines SYNGENTA LIMITED 2014-02-18 US disclosed
US-20130137574-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2013-05-30 US disclosed
US-8338598-B2 Herbicidal pyrido[2,3-B]pyrazines and their use as herbicides SYNGENTA LIMITED 2012-12-25 US disclosed
US-20110021351-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2254416-A2 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2010-12-01 EP disclosed
WO-2009090402-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-23 WO disclosed
US-6358973-B1 FOR THERAPY OF ALLERGIC OR INFLAMMATORY DISEASE ZAMBON GROUP S.P.A. (IT) 2002-03-19 US disclosed
US-6297257-B1 Benzazine derivatives phosphodiesterase 4 inhibitors ZAMBON GROUP S.P.A. (IT) 2001-10-02 US disclosed
EP-1121353-A1 BENZAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2001-08-08 EP disclosed
EP-1060173-A2 BENZAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2000-12-20 EP disclosed
WO-2000021947-A1 BENZAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2000-04-20 WO disclosed
WO-1999032449-A2 BENZAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 1999-07-01 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 (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-20130137574-A1 HERBICIDAL COMPOUNDS DDT, CBR3, CBR1 AKR1B1 58/4885PDE4D 910/4885P2RX7 1501/4885
US-20110021351-A1 HERBICIDAL COMPOUNDS DDT, CBR3, TH AKR1B1 195/4885PDE4D 825/4885P2RX7 1739/4885

“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.