SCHEMBL22101679

SCHEMBL22101679

O=C(O)c1ccc(C(=N\N=C(/S)NCC(F)(F)F)/C(=N/N=C(\S)NCC(F)(F)F)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NAPRT Q6XQN6 1/20 0.38
▸ SRD5A2 P31213 2/20 0.38
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ EPHX2 P34913 3/20 0.37
▸ RXRA P19793 2/20 0.36
▸ RXRB P28702 2/20 0.36
▸ RXRG P48443 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ MLYCD O95822 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NR1H4 Q96RI1 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL22101612 0.92 KDM4E (0.33) CES1ALDH1A1MLYCDCA1CA2
SCHEMBL22101649 0.90 NR1I2 (0.41) ALDH1A1KDM4ELMNAPOLBL3MBTL1
SCHEMBL22101653 0.90 MAPK14 (0.41) TSHRKDM4EPOLBL3MBTL1
SCHEMBL22101619 0.88 KMT2A (0.37) TSHRSRD5A2EPHX2RXRARXRB
SCHEMBL22101690 0.88 ESR1 (0.42) CES2LMNA
SCHEMBL22101651 0.88 NPC1 (0.38) EPHX2ALDH1A1KDM4ELMNAPOLB
SCHEMBL22101822 0.88 ESR1 (0.31) MLYCDKDM4E
SCHEMBL22101657 0.86 HSD11B1 (0.41) TSHRALDH1A1POLB
SCHEMBL22101639 0.86 ITGA1 (0.32) KDM4E
SCHEMBL22102004 0.86 SMN1; SMN2 (0.40) CES2CES1ALDH1A1LMNAPOLB

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-20230172977-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME OREGON STATE UNIVERSITY (US) 2023-06-08 — — US disclosed
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME OREGON STATE UNIVERSITY (US) 2020-06-18 — — 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-20230172977-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU DAO 1054/4885TSHR 3811/4885NAPRT 3944/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU DAO 1054/4885TSHR 3811/4885NAPRT 3944/4885

“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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