SCHEMBL6094745

SCHEMBL6094745

FC(F)(F)c1cccc(N2CCNCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
SIGMAR1 Q99720 4/20 1.00
HTR3E A5X5Y0 3/20 1.00
HTR3B O95264 3/20 1.00
HTR3A P46098 3/20 1.00
HTR3D Q70Z44 3/20 1.00
HTR3C Q8WXA8 3/20 1.00
HTR2C P28335 2/20 1.00
HTR1D P28221 1/20 1.00
THRB P10828 2/20 0.97
MAPT P10636 1/20 0.97
ADRB1 P08588 6/20 0.69
HTR1A P08908 3/20 0.57
HTR7 P34969 3/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HTR2A P28223 1/20 0.57

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
SCHEMBL231692 1.00 ALDH1A1 (1.00) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL720648 0.98 THRB (1.00) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL12818335 0.98 THRB (1.00) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A
Bromide SCHEMBL9146763 0.98 ALDH1A1 (0.97) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A
Piperazine SCHEMBL28225297 0.97 THRB (0.97) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL3060543 0.94 ALDH1A1 (0.88) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL9311165 0.92 THRB (0.88) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL232665 0.90 ALDH1A1 (0.82) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A
Hexane SCHEMBL6472819 0.90 ALDH1A1 (0.81) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL31642192 0.88 HTR3E (0.79) ALDH1A1SIGMAR1HTR3EHTR3BHTR3A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 US claimed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 US claimed
WO-2002092575-A1 BENZIMIDAZOLE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 2002-11-21 WO claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
US-20060142365-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-06-29 US disclosed
US-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 US disclosed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 US disclosed
WO-2002092575-A1 BENZIMIDAZOLE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 2002-11-21 WO disclosed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 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 (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-20060142365-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 ALDH1A1 1618/4885SIGMAR1 1996/4885HTR3E 1875/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 ALDH1A1 1618/4885SIGMAR1 1996/4885HTR3E 1875/4885

“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.