Sugi Predict

Sugi Predict / Compounds / SCHEMBL78688

SCHEMBL78688

SCHEMBL78688

Nc1c(F)cc(F)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.54
▸ CA2 P00918 5/20 0.54
▸ CA9 Q16790 5/20 0.54
▸ MAPT P10636 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ KMT2A Q03164 1/20 0.41
▸ ADRB2 P07550 8/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ CA3 P07451 2/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KDM1A O60341 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ KDM1B Q8NB78 1/20 0.33

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
Bromide SCHEMBL7131565 0.97 CA1 (0.52) CA1CA2CA9MAPTGAA
Hydrochloric Acid SCHEMBL7131081 0.97 CA1 (0.52) CA1CA2CA9MAPTGAA
SCHEMBL1192854 0.86 MAPT (0.58) CA1CA2CA9MAPTGAA
SCHEMBL418340 0.84 MAPT (0.43) CA1CA2CA9MAPTGAA
SCHEMBL9391171 0.84 MAPT (0.43) CA1CA2CA9MAPTGAA
SCHEMBL29674966 0.84 MAPT (0.43) CA1CA2CA9MAPTGAA
SCHEMBL113484 0.80 ALDH1A1 (0.48) CA1CA2CA9MAPTKMT2A
SCHEMBL1639935 0.79 CA1 (0.54) CA1CA2CA9MAPTGAA
SCHEMBL2720754 0.75 CA1 (0.50) CA1CA2CA9MAPTGAA
SCHEMBL4843763 0.75 CA1 (0.50) CA1CA2CA9MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930390-A Method for continuously synthesizing 3, 5-dihalogen bromobenzene by using continuous flow reactor 上海鲲博玖瑞医药科技发展有限公司 2025-05-06 — — CN claimed
CN-119798252-A Method for preparing N-ortho-acyl substituted nitrogen-containing heterocyclic compound and amine-shrinking iron (II) complex thereof 中国石油化工股份有限公司 2025-04-11 — — CN claimed
CN-119143751-A N-ortho-acyl substituted nitrogen-containing heterocyclic compound and preparation method of amine-shrinking iron (II) complex thereof 中国石油化工股份有限公司 2024-12-17 — — CN claimed
CN-119143750-A Preparation method of N-ortho-alkyl substituted 1, 10-phenanthroline compound and catalyst prepared by same 中国石油化工股份有限公司 2024-12-17 — — CN claimed
CN-103804428-B The preparation method of a kind of coordination compound and the application of coordination compound 中国石油化工股份有限公司 2016-12-21 — — CN claimed
CN-102558241-B Preparation of 1,10-phenanthroline complex substituted by propionyl group and application of complex used as catalyst CHINA PETROLEUM & CHEMICAL 2014-11-26 — — CN claimed
CN-102532201-B Preparation of formoxyl substitutional 1, 10-phenanthroline coordination compound and application of prepared coordination compound as catalyst CHINA PETROLEUM & CHEMICAL 2014-11-05 — — CN claimed
CN-102558243-B Preparation method of alkyl-substituted 1,10-phenanthroline complex and application of complex prepared thereby as catalyst SINOPEC CORP. (CN) 2014-10-22 — — CN claimed
CN-102558242-B Preparation of isobutyryl substituted 1,10-phenanthroline complex and application of complex serving as catalyst SINOPEC CORP. (CN) 2014-10-22 — — CN claimed
CN-103804428-A Preparation method and application of complex CHINA PETROLEUM & CHEMICAL 2014-05-21 — — CN claimed
CN-1200017-C Nickel compound catalyst system for polymerization of norbornene and its prepn CHINESE ACAD INST CHEMISTRY (CN) 2005-05-04 — — CN claimed
CN-1388140-A Nickel compound catalyst system for polymerization of norbornene and its prepn CHINESE ACAD INST CHEMISTRY (CN) 2003-01-01 — — CN claimed
US-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives DAEYAERT FREDERIK FRANS DESIRE (BE) 2002-08-22 — — US claimed
EP-1206440-A1 METHOD FOR MONOHALOGENATING AMINOAROMATIC DERIVATIVES RHODIA CHIMIE (FR) 2002-05-22 — — EP claimed
WO-2001014311-A1 METHOD FOR MONOHALOGENATING AMINOAROMATIC DERIVATIVES RHODIA CHIMIE (FR) 2001-03-01 — — WO claimed
EP-1066269-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 — — EP claimed
US-6150360-A ADMINISTERING TO A PATIENT SUFFERING FROM HUMAN IMMUNODEFICIENCY VIRUS INFECTION A TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVE JANSSEN PHARMACEUTICA N.V. (BE) 2000-11-21 — — US claimed
WO-1999050256-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 — — WO claimed
WO-1993019026-A1 PREPARATION OF 3-HALO-HALOBENZENES AND 1-HALO-3,5-DIHALOBENZENES MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1993-09-30 — — WO claimed
US-5157169-A Preparation of 3-halo-halobenzenes and 1-halo-3,5-dihalobenzenes MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1992-10-20 — — US claimed

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-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives XDH, CCR5, CXCR1 CA1 4799/4885CA2 4527/4885CA9 4825/4885

“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.