SCHEMBL22299787

SCHEMBL22299787

COC(=O)c1cccccc(NCCN)ccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
RAB9A P51151 5/20 0.57
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 2/20 0.57
NPC1 O15118 2/20 0.57
AGTR1 P30556 1/20 0.57
POLB P06746 2/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
LOXL2 Q9Y4K0 2/20 0.51
HIF1A Q16665 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
HTR7 P34969 1/20 0.47
PTPN1 P18031 1/20 0.47
CASR P41180 1/20 0.46

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
SCHEMBL21659729 0.87 POLB (0.68) RAB9AALDH1A1SMN1; SMN2HPGDNPC1
Hydrochloric Acid SCHEMBL28694340 0.85 POLB (0.66) RAB9AALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL2872875 0.82 ADRB2 (0.56) RAB9AALDH1A1POLBCA1CA2
Acetic Acid SCHEMBL4587624 0.81 MAPT (0.50) TSHRRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL19401256 0.80 CA1 (0.65) TSHRRAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL20236446 0.78 CA1 (0.63) TSHRRAB9AALDH1A1SMN1; SMN2HPGD
Methyl Benzoate SCHEMBL27741386 0.77 TSHR (0.91) TSHRRAB9AALDH1A1SMN1; SMN2HPGD
Methyl Benzoate SCHEMBL27839065 0.77 TSHR (0.91) TSHRRAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL23016009 0.77 ALDH1A1 (0.64) TSHRALDH1A1SMN1; SMN2MAPTLMNA
Methyl Benzoate SCHEMBL7200 0.77 TSHR (1.00) TSHRRAB9AALDH1A1SMN1; SMN2HPGD

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-11021446-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2021-06-01 US disclosed
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2020-08-06 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 (2 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-11021446-B2 Compositions and methods for modulating farnesoid X receptors NR1H4, GPBAR1, SLC10A1 TSHR 395/4885RAB9A 1731/4885ALDH1A1 2796/4885
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 TSHR 395/4885RAB9A 1731/4885ALDH1A1 2796/4885

“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.