SCHEMBL17219091

SCHEMBL17219091

O=[N+]([O-])c1c(F)c(F)cc(Br)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.44
▸ ALDH1A1 P00352 6/20 0.39
▸ GRIN2D O15399 5/20 0.39
▸ GRIN3B O60391 5/20 0.39
▸ GRIN1 Q05586 5/20 0.39
▸ GRIN2A Q12879 5/20 0.39
▸ GRIN2B Q13224 5/20 0.39
▸ GRIN2C Q14957 5/20 0.39
▸ GRIN3A Q8TCU5 5/20 0.39
▸ PTGER4 P35408 1/20 0.37
▸ HPGD P15428 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TXNRD1 Q16881 1/20 0.34
▸ TXNRD3 Q86VQ6 1/20 0.34
▸ TXNRD2 Q9NNW7 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL3640826 0.82 TSHR (0.48) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL6141212 0.82 MAPT (0.37) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL17218388 0.81 TSHR (0.63) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL17219535 0.81 MAPT (0.36) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL23580766 0.79 MAPT (0.37) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL17219320 0.78 ALDH1A1 (0.44) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL17218955 0.78 TSHR (0.44) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL18298069 0.78 TSHR (0.59) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL18298070 0.78 MAPT (0.34) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL2897221 0.78 GPR35 (0.41) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758468-B2 Halogenated aniline and method for producing same NIPPON SODA CO., LTD. (JP) 2017-09-12 — — US disclosed
US-9573881-B2 Halogenated aniline and method for producing same NIPPON SODA CO., LTD. (JP) 2017-02-21 — — US disclosed
US-20170029361-A1 HALOGENATED ANILINE AND METHOD FOR PRODUCING SAME NIPPON SODA CO., LTD. (JP) 2017-02-02 — — US disclosed
EP-2940002-B1 HALOGENATED ANILINE AND METHOD FOR PRODUCING SAME NIPPON SODA CO (JP) 2016-12-14 — — EP disclosed
US-20150329472-A1 HALOGENATED ANILINE AND METHOD FOR PRODUCING SAME NIPPON SODA CO., LTD. (JP) 2015-11-19 — — US disclosed
EP-2940002-A1 HALOGENATED ANILINE AND METHOD FOR PRODUCING SAME Nippon Soda Co., Ltd. (JP) 2015-11-04 — — EP 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-20170029361-A1 HALOGENATED ANILINE AND METHOD FOR PRODUCING SAME TPO, CYP1A2, XDH TSHR 95/4885ALDH1A1 259/4885GRIN2D 2167/4885
US-20150329472-A1 HALOGENATED ANILINE AND METHOD FOR PRODUCING SAME TPO, CYP1A2, XDH TSHR 95/4885ALDH1A1 259/4885GRIN2D 2167/4885

“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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