SCHEMBL14270262

SCHEMBL14270262

[N-]=[N+]=NCCc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 2/20 0.52
▸ HRH3 Q9Y5N1 2/20 0.47
▸ NAAA Q02083 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CYP1A2 P05177 3/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LIN28A Q9H9Z2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ HSD17B10 Q99714 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
SCHEMBL16352599 0.92 HRH1 (0.44) HRH1HRH3NAAAALDH1A1LMNA
SCHEMBL14270285 0.89 HRH1 (0.51) HRH1HRH3NAAAALDH1A1LMNA
SCHEMBL13983037 0.82 ALDH1A1 (0.49) HRH1HRH3NAAAALDH1A1LMNA
SCHEMBL30401900 0.82 ALDH1A1 (0.49) HRH1HRH3NAAAALDH1A1LMNA
SCHEMBL19101916 0.80 APP (0.58) ALDH1A1LMNACYP1A2SMN1; SMN2HSD17B10
SCHEMBL5499742 0.79 HRH1 (0.59) HRH1HRH3NAAAALDH1A1LMNA
SCHEMBL19019997 0.78 TDP1 (0.66) HRH1ALDH1A1CYP1A2MAPTSMN1; SMN2
SCHEMBL29485678 0.76 HRH1 (0.73) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL230753 0.76 HRH1 (0.73) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL375097 0.76 HRH1 (0.55) HRH1HRH3NAAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113651750-B Synthetic method of betahistine hydrochloride 台州学院 2023-02-24 — — CN disclosed
CN-113651750-A Synthetic method of betahistine hydrochloride 台州学院 2021-11-16 — — CN disclosed
US-11067580-B2 Compounds and methods for conjugation of biomolecules Life Technologies Corporation (US) 2021-07-20 — — US disclosed
US-20200333351-A1 Compounds and Methods for Conjugation of Biomolecules Life Technologies Corporation 2020-10-22 — — US disclosed
US-10648985-B2 Compounds and methods for conjugation of biomolecules Life Technologies Corporation (US) 2020-05-12 — — US disclosed
US-20190079095-A1 COMPOUNDS AND METHODS FOR CONJUGATION OF BIOMOLECULES Life Technologies Corporation 2019-03-14 — — US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 — — US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 — — US disclosed
EP-2966061-B1 COMPOUNDS AND METHODS FOR CONJUGATION OF BIOMOLECULES LIFE TECHNOLOGIES CORP (US) 2017-05-03 — — EP disclosed
CN-103502218-B Compounds and methods for for conjugating biomolecules 生命科技公司 2016-08-17 — — CN disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 — — US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 — — US disclosed
CN-103502218-A Compounds and methods for conjugation of biomolecules LIFE TECHNOLOGIES CORP 2014-01-08 — — CN disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 — — US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 — — US disclosed
WO-2012121973-A1 COMPOUNDS AND METHODS FOR CONJUGATION OF BIOMOLECULES Life Technologies Corporation (US) 2012-09-13 — — WO disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 — — US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 — — US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 — — US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 — — 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 (7 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-20190079095-A1 COMPOUNDS AND METHODS FOR CONJUGATION OF BIOMOLECULES LIG3, LIG1, HLCS HRH1 3709/4885HRH3 3545/4885NAAA 577/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 HRH1 1332/4885HRH3 1632/4885NAAA 1356/4885
US-20200333351-A1 Compounds and Methods for Conjugation of Biomolecules LIG3, LIG1, HLCS HRH1 3709/4885HRH3 3545/4885NAAA 577/4885
US-11067580-B2 Compounds and methods for conjugation of biomolecules LIG3, LIG1, HLCS HRH1 3709/4885HRH3 3545/4885NAAA 577/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC HRH1 1306/4885HRH3 2108/4885NAAA 1000/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 HRH1 1332/4885HRH3 1632/4885NAAA 1356/4885
US-10648985-B2 Compounds and methods for conjugation of biomolecules LIG3, LIG1, HLCS HRH1 3709/4885HRH3 3545/4885NAAA 577/4885

“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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