SCHEMBL4918449

SCHEMBL4918449

O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1cccnc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42

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
SCHEMBL4927221 0.90 TDP1 (0.54) NTRK1TDP1HTTL3MBTL1KDM4E
SCHEMBL4922635 0.86 TDP1 (0.58) NTRK1TDP1L3MBTL1KDM4ENPC1
SCHEMBL4926721 0.85 KDM4E (0.46) NTRK1TDP1HTTL3MBTL1KDM4E
SCHEMBL4922419 0.85 TDP1 (0.56) NTRK1TDP1KDM4EALDH1A1HPGD
SCHEMBL4922044 0.84 TDP1 (0.70) TDP1HTTL3MBTL1KDM4ENPC1
SCHEMBL4921257 0.82 TDP1 (0.56) NTRK1TDP1KDM4EALDH1A1HPGD
SCHEMBL29688585 0.79 LMNA (0.52) NTRK1HTTKDM4EALDH1A1MAPT
SCHEMBL303861 0.79 LMNA (0.52) NTRK1HTTKDM4EALDH1A1MAPT
SCHEMBL28024478 0.78 NTRK1 (0.48) NTRK1TDP1HTTKDM4EALDH1A1
SCHEMBL4925714 0.78 TDP1 (0.53) TDP1L3MBTL1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171774-A1 Nicotinanilides, Method for Production Thereof and Agents Comprising the Same for Prevention of Fungal Pests BASF AKITENGESELLSCHAFT (DE) 2008-07-17 US claimed
US-20080171774-A1 Nicotinanilides, Method for Production Thereof and Agents Comprising the Same for Prevention of Fungal Pests BASF AKITENGESELLSCHAFT (DE) 2008-07-17 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 (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-20080171774-A1 Nicotinanilides, Method for Production Thereof and Agents Comprising the Same for Prevention of Fungal Pests CBR3, CBR1, NNMT NTRK1 3313/4885TDP1 3012/4885HTT 2171/4885

“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.