SCHEMBL1408871

SCHEMBL1408871

COc1ccc2cc3ccccc3nc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
KDM4E B2RXH2 4/20 0.69
RAB9A P51151 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
NQO2 P16083 3/20 0.69
NPC1 O15118 2/20 0.69
MEN1 O00255 2/20 0.69
POLB P06746 2/20 0.69
KMT2A Q03164 2/20 0.69
LMNA P02545 1/20 0.69
CYP1A2 P05177 1/20 0.61
CYP2A6 P11509 1/20 0.61
MAPT P10636 2/20 0.58
GLA P06280 1/20 0.58
HPGD P15428 1/20 0.58
ACHE P22303 1/20 0.58
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
HTR3A P46098 1/20 0.53

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
Hydrochloric Acid SCHEMBL21816611 0.98 ALDH1A1 (0.67) ALDH1A1KDM4ERAB9ASMN1; SMN2NQO2
SCHEMBL1527016 0.89 ALDH1A1 (0.69) ALDH1A1KDM4ERAB9ASMN1; SMN2NQO2
SCHEMBL30065110 0.89 ALDH1A1 (0.69) ALDH1A1KDM4ERAB9ASMN1; SMN2NQO2
SCHEMBL15010571 0.82 NQO2 (1.00) ALDH1A1KDM4ERAB9ASMN1; SMN2NQO2
SCHEMBL14983351 0.81 ALDH1A1 (0.53) ALDH1A1KDM4ERAB9ASMN1; SMN2NQO2
Isothiocyanate SCHEMBL28471606 0.80 KDM4E (0.57) ALDH1A1KDM4ERAB9ASMN1; SMN2NQO2
SCHEMBL3365909 0.79 MEN1 (0.67) ALDH1A1KDM4ERAB9ASMN1; SMN2NQO2
SCHEMBL12068391 0.79 ALDH1A1 (0.52) ALDH1A1KDM4ERAB9ASMN1; SMN2NQO2
SCHEMBL12068392 0.79 ALDH1A1 (0.57) ALDH1A1KDM4ERAB9ASMN1; SMN2NQO2
SCHEMBL27881743 0.79 ALDH1A1 (0.56) ALDH1A1KDM4ERAB9ASMN1; SMN2NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024152986-A1 HETEROARYL AMINO COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 北京鞍石生物科技有限责任公司 2024-07-25 WO claimed
CN-116969923-A Heteroaryl amino compounds, methods of preparation and use thereof 北京鞍石生物科技有限责任公司 2023-10-31 CN claimed
CN-116969923-B Heteroaryl amino compounds, methods of preparation and use thereof 北京鞍石生物科技股份有限公司 2024-07-30 CN disclosed
WO-2024152986-A1 HETEROARYL AMINO COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 北京鞍石生物科技有限责任公司 2024-07-25 WO disclosed
CN-116969923-A Heteroaryl amino compounds, methods of preparation and use thereof 北京鞍石生物科技有限责任公司 2023-10-31 CN disclosed
CN-105884686-B 10-substituted acridine-3 (10) -ketone compound, preparation method and application thereof 中国药科大学 2020-06-09 CN disclosed
CN-105884686-A 10-substituted acridine-3(10)-ketone compound, and preparation method and application thereof 中国药科大学 2016-08-24 CN disclosed
EP-1034221-B1 DIBENZORHODAMINE DYES USEFUL AS FLUORESCENT LABELLING AGENTS LIFE TECHNOLOGIES CORP (US) 2014-05-14 EP disclosed
US-20110124510-A1 METHODS OF LABELING POLYNUCLEOTIDE WITH DIBENZORHODAMINE DYES Life Technologies Corporation (US) 2011-05-26 US disclosed
EP-2295503-A1 Dibenzorhodamine dyes useful as fluorescent labelling agents Applera Corporation (US) 2011-03-16 EP disclosed
US-7833756-B2 Methods of labelling polynucleotides with dibenzorhodamine dyes APPLIED BIOSYSTEMS, LLC (US) 2010-11-16 US disclosed
US-6326153-B2 POLYNUCLEOTIDE SEQUENCING THE PERKIN-ELMER CORPORATION 2001-12-04 US disclosed
US-20010031869-A1 Processes and synthetic intermediates for preparing N-arylacridancarboxylic acid derivatives LUMIGEN, INC. 2001-10-18 US disclosed
US-20010011139-A1 Polynucleotides labeled with dibenzorhodamine dyes THE PERKIN-ELMER CORPORATION 2001-08-02 US disclosed
US-6221606-B1 ENERGY TRANSFER DYE COMPRISING A DONOR DYE WHICH ABSORBS IGHT AND EMITS EXITATION ENERGY, AN ACCEPTOR DYE THE ABSORBS THE EXCITATION ENERGY AND FLUORESCES IN RESPONSE, AND A LINKER LINKING THE TWO DYES, AT LEAST ONE IS A DIBENZORHODAMINE DYE THE PERKIN-ELMER CORPORATION 2001-04-24 US disclosed
EP-1034221-A1 DIBENZORHODAMINE DYES USEFUL AS FLUORESCENT LABELLING AGENTS THE PERKIN-ELMER CORPORATION (US) 2000-09-13 EP disclosed
US-6111116-A FLUORESCENT LABELING REAGENTS THE PERKIN-ELMER CORPORATION (US) 2000-08-29 US disclosed
US-6051719-A FLUORESCENT LABELING REAGENTS THE PERKIN-ELMER CORPORATION (US) 2000-04-18 US disclosed
US-5936087-A FLUORESCENT LABELS; DNA SEQUENCING THE PERKIN-ELMER CORPORATION (US) 1999-08-10 US disclosed
WO-1999027020-A1 DIBENZORHODAMINE DYES USEFUL AS FLOURESCENT LABELLING AGENTS THE PERKIN-ELMER CORPORATION (US) 1999-06-03 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 (2 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-20010011139-A1 Polynucleotides labeled with dibenzorhodamine dyes NUDT1, DNTT, DUT ALDH1A1 1223/4885KDM4E 4648/4885RAB9A 3736/4885
US-20010031869-A1 Processes and synthetic intermediates for preparing N-arylacridancarboxylic acid derivatives ALDH3A1, AADAC, SPR ALDH1A1 64/4885KDM4E 2719/4885RAB9A 4128/4885

“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.