SCHEMBL2986755

SCHEMBL2986755

O=C(O)C(Cc1ccccc1)N1C(=O)c2cscc2C1=O

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.77
▸ GAA P10253 1/20 0.77
▸ AADAT Q8N5Z0 1/20 0.69
▸ TSHR P16473 1/20 0.67
▸ POLB P06746 3/20 0.65
▸ L3MBTL1 Q9Y468 2/20 0.64
▸ KMT2A Q03164 3/20 0.61
▸ PKM P14618 2/20 0.59
▸ MEN1 O00255 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51

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
SCHEMBL478614 0.87 ALDH1A1 (1.00) ALDH1A1GAAAADATTSHRPOLB
SCHEMBL30216480 0.87 ALDH1A1 (1.00) ALDH1A1GAAAADATTSHRPOLB
SCHEMBL392680 0.87 ALDH1A1 (1.00) ALDH1A1GAAAADATTSHRPOLB
SCHEMBL4861809 0.87 ALDH1A1 (1.00) ALDH1A1GAAAADATTSHRPOLB
Hydrochloric Acid SCHEMBL7840775 0.86 ALDH1A1 (0.97) ALDH1A1GAAAADATTSHRPOLB
SCHEMBL21851969 0.82 AADAT (1.00) ALDH1A1GAAAADATTSHRPOLB
SCHEMBL8882780 0.81 ALDH1A1 (0.71) ALDH1A1GAAAADATTSHRPOLB
SCHEMBL9194175 0.80 KMT2A (0.75) ALDH1A1GAAAADATTSHRPOLB
SCHEMBL9665050 0.79 ALDH1A1 (0.78) ALDH1A1GAAAADATTSHRPOLB
SCHEMBL6692611 0.79 POLB (1.00) ALDH1A1GAAAADATTSHRPOLB

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-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 — — US claimed
US-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 — — US disclosed
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-07-15 — — 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-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, NOS1 ALDH1A1 1039/4885GAA 3323/4885AADAT 3913/4885

“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.

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