SCHEMBL2750596

SCHEMBL2750596

Fc1ccc(-n2c[c]cn2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
GLA P06280 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACKR3 P25106 1/20 0.32
LMNA P02545 2/20 0.32
CYP17A1 P05093 2/20 0.32
CYP1A2 P05177 2/20 0.32
KCNN4 O15554 1/20 0.31
KCNA5 P22460 1/20 0.31
OPRM1 P35372 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL2751104 0.85 RXRA (0.35) L3MBTL1
SCHEMBL2900918 0.82 MEN1 (0.35) RAB9ACYP17A1CYP1A2GAASMN1; SMN2
SCHEMBL2902914 0.77 NOTUM (0.41) RAB9AALDH1A1PTGS1PTGS2
SCHEMBL2752440 0.72 NOTUM (0.44) ALDH1A1L3MBTL1LMNAMAPTPTGS2
SCHEMBL1897559 0.70 KEAP1 (0.50) NPC1ALDH1A1GAAMAPT
SCHEMBL1485069 0.70 CYP3A4 (0.56) RAB9AALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4302034 0.70 KCNN4 (0.52) NPC1ALDH1A1L3MBTL1LMNACYP1A2
SCHEMBL30038214 0.70 KCNN4 (0.52) NPC1ALDH1A1L3MBTL1LMNACYP1A2
SCHEMBL2753711 0.70 RXRA (0.38)
SCHEMBL6686476 0.70 LMNA (0.48) NPC1RAB9AALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 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 (3 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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 NPC1 4195/4885RAB9A 2914/4885SIGMAR1 3349/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 NPC1 4528/4885RAB9A 3677/4885SIGMAR1 2079/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR NPC1 4631/4885RAB9A 1806/4885SIGMAR1 1014/4885

“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.