SCHEMBL57528

SCHEMBL57528

Brc1ccc2ccc3ccc(Br)nc3c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.43
CCR5 P51681 2/20 0.43
RAB9A P51151 1/20 0.43
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MMP2 P08253 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
MMP9 P14780 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
MMP8 P22894 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL31493925 0.97 CCR1 (0.42) CCR1CCR5RAB9ABACE1KDM4E
SCHEMBL14884180 0.85 CCR1 (0.33) CCR1CCR5RAB9ABACE1KDM4E
SCHEMBL24508237 0.84 CCR1 (0.34) CCR1CCR5RAB9A
SCHEMBL809383 0.81 LMNA (0.70) CCR1CCR5RAB9AKDM4EGMNN
SCHEMBL339928 0.79 BACE1 (0.63) CCR1CCR5RAB9ABACE1KDM4E
SCHEMBL10868167 0.78 TDP1 (0.46) CCR1CCR5RAB9ACCR8TDP1
SCHEMBL19786096 0.78 PARP1 (0.47) RAB9AHSP90AA1CYP3A4CYP2D6SMN1; SMN2
SCHEMBL3336502 0.77 CYP2A6 (0.48) RAB9ACYP3A4MAPTTSHRHIF1A
SCHEMBL23119598 0.76
SCHEMBL22119746 0.75 BACE1 (0.48) CCR1CCR5RAB9ABACE1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116272969-B Catalyst for synthesizing hexamethylenediamine and preparation method thereof 中国科学院长春应用化学研究所 2025-03-07 CN claimed
CN-119505271-A Metal halide-based metal organic framework material and preparation method and application thereof 陕西科技大学 2025-02-25 CN claimed
CN-116272969-A Catalyst for synthesizing hexamethylenediamine and preparation method thereof 中国科学院长春应用化学研究所 2023-06-23 CN claimed
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US claimed
CN-115819421-A Deep red light/near infrared organic electroluminescent material, preparation method thereof and application thereof in preparing OLED 华南理工大学 2023-03-21 CN claimed
CN-115636890-A Iron catalyst for selective polymerization of conjugated diolefins with 1,2/3,4 and application thereof 宁波大学 2023-01-24 CN claimed
CN-112142775-B Phenolphenanthroline IVB group metal complex and preparation and application thereof 万华化学集团股份有限公司(CN) 2023-01-13 CN claimed
CN-115215865-A Thermal-activation delayed fluorescence red light material and preparation method and application thereof 广东工业大学 2022-10-21 CN claimed
CN-112142775-A Phenolphenanthroline IVB group metal complex and preparation and application thereof 万华化学集团股份有限公司 2020-12-29 CN claimed
CN-111718381-A Osmium metal organic compound containing polypyridine ligand and preparation method and application thereof 荆楚理工学院 2020-09-29 CN claimed
CN-111518145-A Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof 荆楚理工学院 2020-08-11 CN claimed
US-20260125402-A1 Novel Carbonylation Catalysts And Methods Of Making The Same NOVOMER INC (US) 2026-05-07 US disclosed
US-12459960-B2 Carbonylation catalysts and methods of making the same NOVOMER, INC. (US) 2025-11-04 US disclosed
EP-4631621-A2 NOVEL CARBONYLATION CATALYSTS AND METHODS OF MAKING THE SAME Novomer, Inc. (US) 2025-10-15 EP disclosed
US-20250318432-A1 Organic Compound, Organic Light Emitting Diode and Organic Light Emitting Device Having the Compound LG DISPLAY CO., LTD. (KR) 2025-10-09 US disclosed
US-20060105202-A1 Organic electroluminescent device FUJI PHOTO FILM CO., LTD. 2006-05-18 US disclosed
US-20060099450-A1 Organic electroluminescent device FUJI PHOTO FILM CO., LTD. 2006-05-11 US disclosed
US-20060099451-A1 Organic electroluminescent device FUJI PHOTO FILM CO., LTD. 2006-05-11 US disclosed
EP-1629063-A1 ORGANIC ELECTROLUMINESCENT DEVICES AND METAL COMPLEX COMPOUNDS FUJI PHOTO FILM CO., LTD. (JP) 2006-03-01 EP disclosed
WO-2004108857-A1 ORGANIC ELECTROLUMINESCENT DEVICES AND METAL COMPLEX COMPOUNDS FUJI PHOTO FILM CO., LTD. (JP) 2004-12-16 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-20260125402-A1 Novel Carbonylation Catalysts And Methods Of Making The Same CBR1, CBR3, SOD1 CCR1 369/4885CCR5 1646/4885RAB9A 2478/4885
US-12459960-B2 Carbonylation catalysts and methods of making the same CBR1, CBR3, DCXR CCR1 2138/4885CCR5 4040/4885RAB9A 2564/4885
US-20250318432-A1 Organic Compound, Organic Light Emitting Diode and Organic Light Emitting Device Having the Compound OCIAD1, OGFOD1, OCIAD2 CCR1 2805/4885CCR5 3504/4885RAB9A 2709/4885

“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.