SCHEMBL4447482

SCHEMBL4447482

COC(=O)c1cccc(CCN)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
HMGB1 P09429 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
CFTR P13569 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.42
DHODH Q02127 1/20 0.42
ADORA2A P29274 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL5054506 0.89 LOXL2 (0.52) ALDH1A1LMNAHMGB1MRGPRX4HSD17B10
SCHEMBL4443811 0.89 MRGPRX4 (0.50) ALDH1A1LMNAMRGPRX4CFTRHSD17B10
SCHEMBL4447946 0.86 GAA (0.42) ALDH1A1LMNACFTRHSD17B10KMT2A
SCHEMBL27873404 0.84 ALDH1A1 (0.49) ALDH1A1LMNAMRGPRX4CFTRHSD17B10
SCHEMBL4739142 0.83 ALDH1A1 (0.68) ALDH1A1LMNAHMGB1CFTRHSD17B10
SCHEMBL24529118 0.83 MRGPRX4 (0.51) ALDH1A1LMNAMRGPRX4CFTRHSD17B10
SCHEMBL30280757 0.83 MRGPRX4 (0.51) ALDH1A1LMNAMRGPRX4CFTRHSD17B10
Hydrochloric Acid SCHEMBL4443950 0.82 ALDH1A1 (0.66) ALDH1A1LMNAHMGB1CFTRHSD17B10
SCHEMBL2619294 0.82 MRGPRX4 (0.50) ALDH1A1LMNAMRGPRX4CFTRHSD17B10
SCHEMBL1052962 0.81 ALDH1A1 (0.51) ALDH1A1LMNAMRGPRX4CFTRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-05 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-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2676/4885LMNA 2620/4885HMGB1 1464/4885

“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.