SCHEMBL9901418

SCHEMBL9901418

Cc1c(C(=O)NN)cnn1CC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 6/20 0.42
RAB9A P51151 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.39
HTT P42858 3/20 0.39
SPR P35270 2/20 0.37
P2RX7 Q99572 2/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.34
CCR1 P32246 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
SCHEMBL9903594 0.84 ALDH1A1 (0.40) ALDH1A1KDM4ELMNASMN1; SMN2RAB9A
SCHEMBL1304161 0.83 SMN1; SMN2 (0.41) ALDH1A1KDM4ELMNASMN1; SMN2RAB9A
SCHEMBL1841864 0.83 ALDH1A1 (0.44) ALDH1A1KDM4ELMNASMN1; SMN2RAB9A
SCHEMBL23354462 0.82 SMN1; SMN2 (0.41) ALDH1A1LMNASMN1; SMN2RAB9ACYP1A2
Hydrochloric Acid SCHEMBL23354277 0.81 SMN1; SMN2 (0.40) ALDH1A1LMNASMN1; SMN2RAB9ACYP1A2
SCHEMBL23367091 0.79 SMN1; SMN2 (0.40) ALDH1A1KDM4ELMNASMN1; SMN2RAB9A
SCHEMBL23354517 0.78 ALDH1A1 (0.39) ALDH1A1KDM4ELMNASMN1; SMN2RAB9A
SCHEMBL433546 0.78 RAB9A (0.46) ALDH1A1LMNASMN1; SMN2RAB9ACYP1A2
SCHEMBL1302838 0.78 SMN1; SMN2 (0.52) ALDH1A1KDM4ELMNASMN1; SMN2RAB9A
SCHEMBL9901664 0.76 GAA (0.48) ALDH1A1KDM4ELMNASMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648518-A2 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2013-10-16 EP disclosed
US-20130253012-A1 Pyrazole Compounds for Controlling Invertebrate Pests BASF SE (DE) 2013-09-26 US disclosed
WO-2012076704-A2 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2012-06-14 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-20130253012-A1 Pyrazole Compounds for Controlling Invertebrate Pests RTN3, RRS1, RTF1 ALDH1A1 3516/4885KDM4E 3482/4885LMNA 1667/4885

“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.