SCHEMBL4298564

SCHEMBL4298564

Fc1ccc(-c2cn3c(n2)CCCC3)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 8/20 0.49
LMNA P02545 4/20 0.49
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
F2RL3 Q96RI0 1/20 0.40
MAP4K4 O95819 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL3248199 0.96 WDR5 (0.53) WDR5LMNAALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL5312530 0.81 LMNA (0.57) WDR5LMNAALDH1A1NPC1RAB9A
SCHEMBL17767640 0.79 WDR5 (0.53) WDR5LMNAALDH1A1NPC1RAB9A
SCHEMBL9698908 0.79 LMNA (0.70) WDR5LMNAALDH1A1NPC1RAB9A
SCHEMBL15933673 0.78 PDCD1 (0.51) WDR5HDAC1HDAC2F2RL3
Hydrochloric Acid SCHEMBL20337621 0.76 LMNA (0.72) WDR5LMNAALDH1A1NPC1RAB9A
SCHEMBL10750241 0.75 LMNA (0.47) WDR5LMNAALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL18281459 0.75 LMNA (0.67) WDR5LMNAALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL5309216 0.75 LMNA (0.60) WDR5LMNAALDH1A1NPC1RAB9A
SCHEMBL7674125 0.74 LMNA (0.58) WDR5LMNAALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188083-B2 Triazolopyridazines ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
US-8188083-B2 Triazolopyridazines ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
US-8188083-B2 Triazolopyridazines ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
US-20090270402-A1 Novel triazolopyridazines ABBVIE INC. 2009-10-29 US disclosed
US-20090270402-A1 Novel triazolopyridazines ABBVIE INC. 2009-10-29 US disclosed
US-20090270402-A1 Novel triazolopyridazines ABBVIE INC. 2009-10-29 US disclosed
US-6358885-B1 PREEMERGENT OR POSTEMERGENT HERBICIDES OR PLANT GROWTH REGULANTS MISSISSIPPI STATE UNIVERSITY 2002-03-19 US disclosed
US-5977028-A Substituted phenylheterocyclic herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-11-02 US disclosed
EP-0626962-B1 SUBSTITUTED PHENYLHETEROCYCLIC HERBICIDES DU PONT (US) 1999-03-17 EP disclosed
US-5670455-A Substituted phenylheterocyclic herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-09-23 US disclosed
EP-0626962-A1 SUBSTITUTED PHENYLHETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-12-07 EP disclosed
WO-1993015074-A1 SUBSTITUTED PHENYLHETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-05 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 (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-20090270402-A1 Novel triazolopyridazines MAP3K5, MAP3K1, MAP3K2 WDR5 1026/4885LMNA 4230/4885ALDH1A1 435/4885

“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.