SCHEMBL133129

SCHEMBL133129

O=C(CBr)CCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 3/20 0.54
HSD17B10 Q99714 3/20 0.54
HPGD P15428 2/20 0.54
GAA P10253 1/20 0.54
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
HDAC8 Q9BY41 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL29452030 1.00 ALDH1A1 (0.54) ALDH1A1KMT2AHSD17B10HPGDGAA
SCHEMBL1436043 0.90 ALDH1A1 (0.56) ALDH1A1KMT2AHSD17B10HPGDPOLB
SCHEMBL30984472 0.90 ALDH1A1 (0.56) ALDH1A1KMT2AHSD17B10HPGDPOLB
SCHEMBL14594063 0.89 KMT2A (0.60) ALDH1A1KMT2AHSD17B10HPGDGAA
SCHEMBL10425510 0.88 HDAC8 (0.61) ALDH1A1KMT2AHPGDPOLBSMN1; SMN2
SCHEMBL11661610 0.87 HDAC8 (0.64) ALDH1A1KMT2AHPGDPOLBSMN1; SMN2
SCHEMBL11464787 0.87 HDAC8 (0.64) ALDH1A1KMT2AHPGDPOLBSMN1; SMN2
SCHEMBL8118590 0.84 ALDH1A1 (0.55) ALDH1A1KMT2AHSD17B10HPGDGAA
SCHEMBL4403950 0.84 ALDH1A1 (0.55) ALDH1A1KMT2AHSD17B10HPGDGAA
SCHEMBL31065934 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AHSD17B10HPGDGAA

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 131 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3589606-B1 TRANSITION METAL-CATALYZED PROTODECARBOXYLATION OF ALPHA-HALO-ACRYLIC ACID DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2023-09-20 EP disclosed
CN-110366547-B Transition metal catalyzed photodecarboxylation of alpha-haloacrylic acid derivatives 勃林格殷格翰国际有限公司 2023-02-17 CN disclosed
US-11046648-B2 Transition metal-catalyzed protodecarboxylation of α-halo-acrylic acid derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-06-29 US disclosed
US-20200231544-A1 Transition Metal-catalyzed Protodecarboxylation of alpha-Halo-acrylic Acid Derivatives BOEHRINGER INGELHEIM INT (DE) 2020-07-23 US disclosed
CN-107635992-B Tricyclic heterocyclic compounds useful as TNF inhibitors 百时美施贵宝公司 2020-05-22 CN disclosed
US-10654803-B2 Transition metal-catalyzed protodecarboxylation of alpha-halo-acrylic acid derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-05-19 US disclosed
EP-3271361-B1 TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TNF BRISTOL MYERS SQUIBB CO (US) 2020-04-22 EP disclosed
EP-3271361-B1 TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TNF BRISTOL MYERS SQUIBB CO (US) 2020-04-22 EP disclosed
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
US-20190177273-A1 TRANSITION METAL-CATALYZED PROTODECARBOXYLATION OF ALPHA-HALO-ACRYLIC ACID DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2019-06-13 US disclosed
US-5190589-A Compounds and process preparing a substituted or an unsubstituted 4(5)-(ω-aminoalkyl)imidazole CEDONA PHARMACEUTICALS B.V. (NL) 1993-03-02 US disclosed
EP-0511270-A1 NEW THIAZOLE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1992-11-04 EP disclosed
US-5037834-A Heterocycylic-substituted quinoline-carboxylic acids PFIZER INC. (US) 1991-08-06 US disclosed
WO-1991010657-A1 NEW THIAZOLE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1991-07-25 WO disclosed
EP-0415948-A1 PROCESS FOR PREPARING A SUBSTITUTED OR AN UNSUBSTITUTED 4(5)-($g(v)-AMINOALKYL)IMIDAZOLE CEDONA PHARMACEUTICALS B.V. (NL) 1991-03-13 EP disclosed
WO-1989010360-A1 PROCESS FOR PREPARING A SUBSTITUTED OR AN UNSUBSTITUTED 4(5)-(omega-AMINOALKYL)IMIDAZOLE CEDONA PHARMACEUTICALS B.V. (NL) 1989-11-02 WO disclosed
WO-1989005643-A1 HETEROCYCLIC-SUBSTITUTED QUINOLINE-CARBOXYLIC ACIDS PFIZER INC. (US) 1989-06-29 WO disclosed
EP-0321191-A2 Heterocyclic-substituted quinoline-carboxylic acids PFIZER INC. (US) 1989-06-21 EP disclosed
US-4548935-A Dihydropyridine anti-ischaemic and anti-hypertensive agents, compositions and use PFIZER INC. (US) 1985-10-22 US disclosed
EP-0150939-A1 Dihydropyridine anti-ischaemic and antihypertensive agents Pfizer Limited (GB) 1985-08-07 EP 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 (4 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-20200231544-A1 Transition Metal-catalyzed Protodecarboxylation of alpha-Halo-acrylic Acid Derivatives HDHD5, HACL2, ALAD ALDH1A1 371/4885KMT2A 1215/4885HSD17B10 183/4885
US-10654803-B2 Transition metal-catalyzed protodecarboxylation of alpha-halo-acrylic acid derivatives HACL2, HDHD5, HCAR1 ALDH1A1 117/4885KMT2A 2016/4885HSD17B10 180/4885
US-11046648-B2 Transition metal-catalyzed protodecarboxylation of α-halo-acrylic acid derivatives HDHD5, HACL2, ALAD ALDH1A1 331/4885KMT2A 1112/4885HSD17B10 173/4885
US-20190177273-A1 TRANSITION METAL-CATALYZED PROTODECARBOXYLATION OF ALPHA-HALO-ACRYLIC ACID DERIVATIVES HDHD5, HACL2, ALAD ALDH1A1 371/4885KMT2A 1215/4885HSD17B10 183/4885

“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.