SCHEMBL9937126

SCHEMBL9937126

O=C(O)Cc1cc(F)cc2[nH]ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR84 Q9NQS5 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MCL1 Q07820 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
DNMT1 P26358 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL30275153 1.00 TSHR (0.51) TSHRALDH1A1HPGDLMNAGLA
SCHEMBL9936557 0.81 ALDH1A1 (0.45) TSHRALDH1A1HPGDLMNAGLA
SCHEMBL27973166 0.81 MPL (0.44) TSHRALDH1A1HPGDLMNAGLA
SCHEMBL27973185 0.81 ALDH1A1 (0.42) TSHRALDH1A1HPGDLMNAGLA
SCHEMBL30805086 0.80 GPR84 (0.44) GPR84AHRHTR2AAURKATPX2
Hydrochloric Acid SCHEMBL2913110 0.79 HPGD (0.41) TSHRALDH1A1HPGDLMNAGLA
SCHEMBL29651210 0.77 TSHR (0.77) TSHRALDH1A1HPGDLMNAGLA
SCHEMBL4098433 0.77 TSHR (0.77) TSHRALDH1A1HPGDLMNAGLA
SCHEMBL27972984 0.77 KDM4E (0.44) TSHRALDH1A1HPGDLMNAGLA
SCHEMBL15208436 0.76 HTR2A (0.47) GPR84KMT2AAHRHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20130309247-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-11-21 US disclosed
EP-2651919-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
WO-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 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-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 TSHR 4585/4885ALDH1A1 4204/4885HPGD 3794/4885

“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.