SCHEMBL2088005

SCHEMBL2088005

CN(C(=O)CC#N)c1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.39
RIPK1 Q13546 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.35
PIK3CA P42336 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
ACKR3 P25106 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 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
SCHEMBL3266445 0.78 POLQ (0.45) MAPTALDH1A1LMNAKMT2AGAA
SCHEMBL2086812 0.76 GPBAR1 (0.40) MAPTCES2CES1PIK3CAALDH1A1
SCHEMBL2096358 0.75 HTT (0.46) MAPTHTTRIPK1CES2CES1
SCHEMBL2096355 0.75 HTT (0.46) MAPTHTTRIPK1CES2CES1
SCHEMBL7002940 0.75 FSCN1 (0.49) MAPTHTTRIPK1CES2CES1
SCHEMBL5317201 0.74 HTT (0.49) MAPTHTTRIPK1CES2CES1
SCHEMBL22289638 0.74 GABRP (0.40) MAPTALDH1A1LMNAGAAPOLB
SCHEMBL22289626 0.74 GPBAR1 (0.39) MAPTHTTALDH1A1LMNAPOLB
SCHEMBL4138962 0.74 GAA (0.42) MAPTHTTRIPK1GAA
SCHEMBL2097665 0.71 MAPT (0.49) MAPTHTTCES2CES1PIK3C3

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
US-7897788-B2 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-03-01 US disclosed
EP-1740171-B1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-09 EP disclosed
US-20070208004-A1 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-09-06 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-20070208004-A1 Indol-1-yl-acetic acid derivatives IDO1, IDO2, AANAT MAPT 292/4885HTT 200/4885RIPK1 2608/4885

“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.