SCHEMBL6990827

SCHEMBL6990827

O=C=NC(=O)/C=C/c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.55
▸ HDAC3 O15379 2/20 0.55
▸ HDAC4 P56524 2/20 0.55
▸ HDAC1 Q13547 2/20 0.55
▸ HDAC2 Q92769 2/20 0.55
▸ HDAC8 Q9BY41 2/20 0.55
▸ HDAC6 Q9UBN7 2/20 0.55
▸ PLIN1 O60240 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ RECQL P46063 2/20 0.55
▸ PLIN5 Q00G26 2/20 0.55
▸ ABHD5 Q8WTS1 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ F3 P13726 2/20 0.55
▸ TNKS O95271 1/20 0.55
▸ HCAR2 Q8TDS4 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ HDAC10 Q969S8 1/20 0.55
▸ HDAC11 Q96DB2 1/20 0.55
▸ TNKS2 Q9H2K2 1/20 0.55

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
SCHEMBL6990829 1.00 MAPT (0.55) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL13159756 0.83 MAPT (0.53) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL28735626 0.83 MAPT (0.53) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL4029202 0.79 MAPT (0.64) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL4023735 0.79 MAPT (0.64) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL8849603 0.78 MAPT (0.47) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL16588259 0.78 HDAC1 (0.61) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL11691730 0.76 MAOB (0.54) MAPTLMNAALDH1A1SMN1; SMN2CYP1B1
SCHEMBL11691732 0.76 MAOB (0.54) MAPTLMNAALDH1A1SMN1; SMN2CYP1B1
SCHEMBL11476908 0.76 TDP1 (0.61) MAPTHDAC3HDAC4HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60245637-A — — None — — JP disclosed
CN-111153898-B Thiourea derivative and preparation method and application thereof 南华大学 2022-11-11 — — CN disclosed
CN-111153898-A Thiourea derivative and preparation method and application thereof 南华大学 2020-05-15 — — CN disclosed
US-9334236-B2 Lactam-based compounds with a urethane or urea functional group, and uses thereof ISP INVESTMENTS INC. (US) 2016-05-10 — — US disclosed
US-9334236-B2 Lactam-based compounds with a urethane or urea functional group, and uses thereof ISP INVESTMENTS INC. (US) 2016-05-10 — — US disclosed
US-20120149861-A1 LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF ISP INVESTMENTS LLC 2012-06-14 — — US disclosed
US-20120149861-A1 LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF ISP INVESTMENTS LLC 2012-06-14 — — US disclosed
WO-2011022457-A1 LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF ISP INVESTMENTS INC. (US) 2011-02-24 — — WO disclosed
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 — — EP disclosed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 — — US disclosed
US-6020368-A MICROBIOCIDES HINKS JEREMY DAVID (US) 2000-02-01 — — US disclosed
CN-1214039-A Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM PLC (GB) 1999-04-14 — — CN disclosed
EP-0874809-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1998-11-04 — — EP disclosed
WO-1997025309-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-17 — — WO disclosed
US-5386057-A Process for the preparation of acyl isocyanates SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1995-01-31 — — US disclosed
JP-S60245637-A PHOTOSENSITIVE, HEAT-RESISTANT MATERIAL MITSUBISHI ELECTRIC CORP 1985-12-05 — — JP disclosed
US-4061630-A 7-Substituted-ureido-3-carbamoyloxymethyl cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1977-12-06 — — 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 (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-20120149861-A1 LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF CUTA, PUF60, PAM MAPT 2470/4885HDAC3 2695/4885HDAC4 2195/4885

“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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