SCHEMBL16202007

SCHEMBL16202007

Cc1ncn(-c2cccc(Cl)c2Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.42
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
P2RX7 Q99572 10/20 0.40
HCAR1 Q9BXC0 1/20 0.39
CYP11B2 P19099 1/20 0.38
ADRB1 P08588 1/20 0.38
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL30725606 0.86 BCHE (0.40) NOTUMHCAR1ALDH1A1SMN1; SMN2
SCHEMBL12528439 0.86 BCHE (0.40) NOTUMHCAR1ALDH1A1SMN1; SMN2
SCHEMBL16201996 0.74 FLT3 (0.44) HCAR1CYP11B2ADRB1ALDH1A1SMN1; SMN2
SCHEMBL31352427 0.72 HSD11B1 (0.43)
SCHEMBL30725597 0.72 KCNH2 (0.43) NOTUMHCAR1CYP11B2ALDH1A1
SCHEMBL16201998 0.72 KCNH2 (0.43) NOTUMHCAR1CYP11B2ALDH1A1
SCHEMBL17720568 0.72 POLB (0.36) NOTUMALDH1A1SMN1; SMN2
SCHEMBL16202006 0.72 HTT (0.42) NOTUMP2RX7HCAR1ALDH1A1
SCHEMBL17720567 0.72 POLB (0.41)
SCHEMBL20455919 0.71 GAA (0.46) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2016-09-01 US disclosed
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi BASF SE (DE) 2016-05-26 US disclosed
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US disclosed
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20140377178-A1 RADIOFLUORINATION METHOD UNIVERSITY OF SOUTHAMPTON (GB) 2014-12-25 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 US 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 (6 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-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 NOTUM 2417/4885DRD2 1932/4885DRD3 2294/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 NOTUM 2527/4885DRD2 1238/4885DRD3 1482/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 NOTUM 2527/4885DRD2 1238/4885DRD3 1482/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB NOTUM 3419/4885DRD2 3156/4885DRD3 3730/4885
US-20140377178-A1 RADIOFLUORINATION METHOD TFRC, AFF1, AFF2 NOTUM 1590/4885DRD2 1997/4885DRD3 1298/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB NOTUM 3419/4885DRD2 3156/4885DRD3 3730/4885

“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.