SCHEMBL6055876

SCHEMBL6055876

N#Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)cc1C1CC1(Br)Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 8/20 0.39
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
STAT3 P40763 1/20 0.34
STAT1 P42224 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34

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
SCHEMBL6055638 0.85 GABRB3 (0.41) SMN1; SMN2LMNA
SCHEMBL6965005 0.79 ALDH1A1 (0.45) POLBSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6967472 0.76 GABRB3 (0.45) SMN1; SMN2LMNA
SCHEMBL7972335 0.75 GABRB3 (0.40) SMN1; SMN2LMNA
SCHEMBL6968989 0.75 ALDH1A1 (0.44) POLBSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6055634 0.75 GABRB3 (0.43) SMN1; SMN2LMNA
SCHEMBL6976275 0.74 GABRB3 (0.41) SMN1; SMN2LMNA
SCHEMBL6973180 0.74 SRC (0.30)
SCHEMBL6976804 0.74 GABRA2 (0.40) SMN1; SMN2LMNA
SCHEMBL6969849 0.74 GABRA2 (0.40) SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060105969-A1 Anthelmintic compositions BRUCE CHRISTOPHER I 2006-05-18 US claimed
EP-0946515-B1 PARASITICIDAL PYRAZOLES PFIZER LTD (GB) 2003-03-05 EP claimed
US-6075043-A Parasiticidal pyrazoles PFIZER INC. (US) 2000-06-13 US claimed
EP-0946515-A1 PARASITICIDAL PYRAZOLES Pfizer Limited (GB) 1999-10-06 EP claimed
WO-1998024767-A1 PARASITICIDAL PYRAZOLES PFIZER LIMITED (GB) 1998-06-11 WO claimed
US-20060105969-A1 Anthelmintic compositions BRUCE CHRISTOPHER I 2006-05-18 US disclosed
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-0946515-A1 PARASITICIDAL PYRAZOLES Pfizer Limited (GB) 1999-10-06 EP disclosed
EP-0933363-A1 Parasiticidal pyrazoles Pfizer Limited (GB) 1999-08-04 EP disclosed
WO-1998024767-A1 PARASITICIDAL PYRAZOLES PFIZER LIMITED (GB) 1998-06-11 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 (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-20060105969-A1 Anthelmintic compositions TUBB, TUBA3C, CYP51A1 POLB 1424/4885SMN1; SMN2 4582/4885ALDH1A1 1903/4885
US-20020173662-A1 Parasiticidal pyrazoles HRH3, HRH2, HRH1 POLB 4325/4885SMN1; SMN2 4644/4885ALDH1A1 814/4885

“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.