SCHEMBL6965005

SCHEMBL6965005

N#Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)cc1I

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 4/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 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
SCHEMBL6968989 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL6555658 0.83 GABRA2 (0.46) SMN1; SMN2LMNA
SCHEMBL6055876 0.79 POLB (0.40) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL6965080 0.77 GABRP (0.47) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL16702751 0.75 POLB (0.50) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL720136 0.74 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2POLBKDM4EMAPT
SCHEMBL8801268 0.72 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL23302293 0.71 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL11123776 0.71 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2POLBKDM4EMAPT
SCHEMBL2004433 0.69 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2POLBKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933363-B1 Parasiticidal pyrazoles PFIZER LTD (GB) 2003-08-27 EP disclosed
EP-0946515-B1 PARASITICIDAL PYRAZOLES PFIZER LTD (GB) 2003-03-05 EP disclosed
US-20020173662-A1 Parasiticidal pyrazoles BANKS BERNARD JOSEPH (GB) 2002-11-21 US disclosed
US-6268509-B1 PESTICIDES PFIZER INC 2001-07-31 US disclosed
US-6090394-A FOR HUMANS, ANIMALS PFIZER INC. (US) 2000-07-18 US disclosed
US-6075043-A Parasiticidal pyrazoles PFIZER INC. (US) 2000-06-13 US disclosed
US-6019986-A Parasiticidal pyrazoles PFIZER INC. (US) 2000-02-01 US disclosed
EP-0933363-A1 Parasiticidal pyrazoles Pfizer Limited (GB) 1999-08-04 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 (1 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-20020173662-A1 Parasiticidal pyrazoles HRH3, HRH2, HRH1 ALDH1A1 814/4885SMN1; SMN2 4644/4885NPC1 865/4885

“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.