SCHEMBL9110871

SCHEMBL9110871

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2ccnc(C(=O)N[C@@H]3CCCc4ccccc43)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.42
LMNA P02545 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
CCR1 P32246 1/20 0.40
RECQL P46063 1/20 0.40
CYP2D6 P10635 2/20 0.40
DHODH Q02127 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40

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
SCHEMBL18112860 1.00 TSHR (0.44) TSHRGAALMNAMEN1KMT2A
SCHEMBL29360940 1.00 TSHR (0.44) TSHRGAALMNAMEN1KMT2A
SCHEMBL19176101 0.92 TSHR (0.41) TSHRGAALMNAMEN1KMT2A
SCHEMBL29458581 0.92 TSHR (0.41) TSHRGAALMNAMEN1KMT2A
SCHEMBL18131639 0.92 TSHR (0.41) TSHRGAALMNAMEN1KMT2A
SCHEMBL19176033 0.91 TSHR (0.41) TSHRGAALMNAMEN1KMT2A
SCHEMBL29360681 0.91 TSHR (0.41) TSHRGAALMNAMEN1KMT2A
SCHEMBL18112850 0.91 TSHR (0.41) TSHRGAALMNAMEN1KMT2A
SCHEMBL29362405 0.90 TSHR (0.40) TSHRGAALMNAMEN1KMT2A
SCHEMBL18112836 0.90 TSHR (0.40) TSHRGAALMNAMEN1KMT2A

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-20170208808-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2017-07-27 US disclosed
EP-2464630-B1 MICROBIOCIDAL HETEROCYCLES SYNGENTA PARTICIPATIONS AG (CH) 2016-05-25 EP disclosed
US-20130144064-A1 MICROBIOCIDAL HETEROCYCLES SYNGENTA CROP PROTECTION, LLC (US) 2013-06-06 US disclosed
US-8367844-B2 Microbiocidal heterocycles SYNGENTA CROP PROTECTION LLC (US) 2013-02-05 US disclosed
US-20120142698-A1 MICROBIOCIDAL HETEROCYCLES SYNGENTA CROP PROTECTION, LLC (US) 2012-06-07 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-20170208808-A1 FUNGICIDAL COMPOSITIONS CYP51A1, CBR3, PPM1F TSHR 2248/4885GAA 652/4885LMNA 2280/4885
US-20120142698-A1 MICROBIOCIDAL HETEROCYCLES CBR1, NOX1, CBR3 TSHR 800/4885GAA 3965/4885LMNA 3114/4885
US-20130144064-A1 MICROBIOCIDAL HETEROCYCLES CBR1, NOX1, CX3CR1 TSHR 750/4885GAA 4083/4885LMNA 2943/4885

“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.