SCHEMBL3296244

SCHEMBL3296244

Cc1cc2cccc(F)c2n1CCCI

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
CCR2 P41597 1/20 0.37
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 2/20 0.31
TLR8 Q9NR97 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
CMA1 P23946 1/20 0.30

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
SCHEMBL7783060 0.85 TLR8 (0.46) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL3299836 0.85 SMN1; SMN2 (0.37) SMN1; SMN2CCR2KDM4EMEN1ALDH1A1
SCHEMBL20504690 0.83 SMN1; SMN2 (0.39) SMN1; SMN2CCR2KDM4EMEN1ALDH1A1
SCHEMBL476672 0.79 HASPIN (0.41) SMN1; SMN2CCR2KDM4EMEN1ALDH1A1
SCHEMBL476538 0.77 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL8061084 0.74 LMNA (0.44) KDM4EALDH1A1GAACNR1CNR2
SCHEMBL476677 0.74 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EMEN1KMT2ATP53
SCHEMBL18000433 0.73 CMA1 (0.37) SMN1; SMN2CCR2KDM4EMEN1ALDH1A1
SCHEMBL20505204 0.70 SMN1; SMN2 (0.36) SMN1; SMN2CCR2KDM4ETP53TSHR
SCHEMBL5672286 0.68 CCR2 (0.37) SMN1; SMN2CCR2KDM4EMEN1ALDH1A1

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-7741363-B2 3-Acylindole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-06-22 US disclosed
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-06 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-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF F12, ECI1, NQO2 SMN1; SMN2 2155/4885CCR2 1642/4885KDM4E 1501/4885

“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.