SCHEMBL951441

SCHEMBL951441

Nc1c(Br)cc(Br)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.61
AKR1C2 P52895 2/20 0.61
AKR1C1 Q04828 2/20 0.61
AKR1C4 P17516 1/20 0.61
KDM4E B2RXH2 3/20 0.53
GLA P06280 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GPR35 Q9HC97 2/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41

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
SCHEMBL30690387 1.00 AKR1C3 (0.61) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E
Hydrochloric Acid SCHEMBL11624392 0.98 AKR1C3 (0.59) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E
SCHEMBL30505691 0.83 KDM4E (0.59) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E
SCHEMBL11798181 0.83 KDM4E (0.59) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E
SCHEMBL5627230 0.83 AKR1C4 (0.45) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E
SCHEMBL2965583 0.81 AKR1C3 (0.53) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E
SCHEMBL11624384 0.81 AKR1C4 (0.44) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E
SCHEMBL31552442 0.81 MAOB (0.45) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E
SCHEMBL7821086 0.79 KDM4E (0.41) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E
SCHEMBL221718 0.79 KDM4E (0.66) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057917-A Post-treatment ashless dispersant and preparation method thereof 中国石油天然气股份有限公司 2022-02-18 CN claimed
CN-109535010-B Preparation method of bromhexine hydrochloride 广州一品红制药有限公司 2021-10-26 CN claimed
CN-110922336-A Method for continuously preparing ambroxol high-purity key intermediate 2-amino-3, 5-dibromobenzoic acid 南京恒道医药科技有限公司 2020-03-27 CN claimed
US-20250235413-A1 MODIFIED FORMS OF AMBROXOL FOR THERAPEUTIC USE ZYWIE, LLC (US) 2025-07-24 US disclosed
EP-4551575-A2 TREM2 MODULATORS Muna Therapeutics ApS (DK) 2025-05-14 EP disclosed
WO-2025086591-A1 ROTIGOTINE PRODRUG DERIVATIVE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 烟台药物研究所 2025-05-01 WO disclosed
CN-118125928-B Preparation method of 2-amino-3, 5-dibromobenzaldehyde 南昌大学抚州医学院 2025-03-28 CN disclosed
CN-119403806-A TREM2 modulators 穆纳治疗有限公司 2025-02-07 CN disclosed
CN-118660866-A Improved ambroxol for treatment 启威公司 2024-09-17 CN disclosed
CN-118125928-A Preparation method of 2-amino-3, 5-dibromobenzaldehyde 南昌大学抚州医学院 2024-06-04 CN disclosed
CN-114057917-B Post-treatment ashless dispersant and preparation method thereof 中国石油天然气股份有限公司 2024-03-26 CN disclosed
US-4363766-A Process for the preparation of sulfur-containing N-benzyl-amino acids and esters BOEHRINGER INGELHEIM GMBH (DE) 1982-12-14 US disclosed
US-4172098-A REACTION OF A HALOAMINOBENZOIC ACID WITH AN ALCOHOL AND NITROSYLATING AGENT IN THE PRESCENCE OF AN ACID AND WATER BASF AKTIENGESELLSCHAFT (DE) 1979-10-23 US disclosed
US-4145341-A WATER-SOLUBLE AZO DYES CONTAINING DIAMINOPYRIMIDINE COUPLER COMPONENTS BASF AKTIENGESELLSCHAFT (DE) 1979-03-20 US disclosed
US-4128545-A DISPERSE, POLYESTER BASF AKTIENGESELLSCHAFT (DE) 1978-12-05 US disclosed
US-4041025-A FOR HYDROPHOBIC FIBERS SUCH AS POLYESTERS, YELLOW TO BLUE-GREEN SHADES BASF AKTIENGESELLSCHAFT (DT) 1977-08-09 US disclosed
US-4016152-A SUITABLE FOR DYEING POLYESTERS BASF AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-3998802-A POLYAMIDES, CELLULOSE ESTERS, POLYESTERS, POLYACRYLONITRILES BASF AKTIENGESELLSCHAFT (DT) 1976-12-21 US disclosed
US-3971741-A DISPERSION PIGMENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3950321-A POLYESTERS BASF AKTIENGESELLSCHAFT (DT) 1976-04-13 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-20250235413-A1 MODIFIED FORMS OF AMBROXOL FOR THERAPEUTIC USE BROX, BDKRB2, BRPF1 AKR1C3 241/4885AKR1C2 387/4885AKR1C1 551/4885

“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.