SCHEMBL19458500

SCHEMBL19458500

C=C(C(=O)OCC)c1cnc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ CCNE1 P24864 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDC7 O00311 1/20 0.37
▸ DBF4 Q9UBU7 1/20 0.37
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37

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
SCHEMBL15100311 0.88 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDTSHRKDM4E
SCHEMBL13467941 0.78 CCNE1 (0.56) ALDH1A1SMN1; SMN2HPGDKDM4ENPC1
SCHEMBL17595785 0.77 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTGABRA5
SCHEMBL6181698 0.75 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDKDM4ENPC1
SCHEMBL13467940 0.73 NPC1 (0.46) ALDH1A1SMN1; SMN2HPGDKDM4ENPC1
SCHEMBL27543447 0.70 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2TSHRKDM4ENPC1
SCHEMBL8628745 0.70 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2HPGDKDM4ENPC1
SCHEMBL27518079 0.69 VNN1 (0.40) ALDH1A1SMN1; SMN2HPGDTSHRKDM4E
SCHEMBL3983323 0.69 RAB9A (0.67) ALDH1A1SMN1; SMN2HPGDTSHRKDM4E
SCHEMBL7763018 0.69 MEN1 (0.47) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A

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-10093666-B2 Deuterated O-sulfated beta lactam hydroxamic acids and deuterated N-sulfated beta lactams ARIXA PHARMACEUTICALS, INC. (US) 2018-10-09 — — US disclosed
US-20180148439-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N-SULFATED BETA LACTAMS ARIXA PHARMACEUTICALS, INC. 2018-05-31 — — US disclosed
US-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS ARIXA PHARMACEUTICALS, INC. 2017-10-19 — — US disclosed
WO-2017180794-A1 DEUTERATED O-SULFATED BETA-LACTAM HYDROXAMIC ACIDS AND DEUTERATED N-SULFATED BETA-LACTAMS SKYLINE ANTIINFECTIVES, INC. (US) 2017-10-19 — — 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 (3 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-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS DDOST, LBR, STS ALDH1A1 3218/4885SMN1; SMN2 2168/4885HPGD 122/4885
US-20180148439-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N-SULFATED BETA LACTAMS DDOST, LBR, STS ALDH1A1 3218/4885SMN1; SMN2 2168/4885HPGD 122/4885
US-10093666-B2 Deuterated O-sulfated beta lactam hydroxamic acids and deuterated N-sulfated beta lactams DDOST, LBR, STS ALDH1A1 3218/4885SMN1; SMN2 2168/4885HPGD 122/4885

“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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