SCHEMBL1120982

SCHEMBL1120982

Ic1ccc(N(Cc2ccccn2)c2ncccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LIN28A Q9H9Z2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KCNA5 P22460 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
HRH1 P35367 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
KCNN4 O15554 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL1120944 0.81 CYP1A2 (0.41) SMN1; SMN2KMT2ACYP1A2CYP3A4HRH1
SCHEMBL4370206 0.78 MAPT (0.59) MAPTSMN1; SMN2LIN28ATDP1KCNA5
SCHEMBL1121246 0.77 HDAC8 (0.39) SMN1; SMN2CYP1A2CYP3A4NR1H2NR1H3
SCHEMBL1120955 0.75 MAPT (0.40) MAPTKCNA5NPSR1ALDH1A1HDAC8
SCHEMBL1121145 0.72 KMT2A (0.39) KCNA5KMT2AMEN1TSHRCYP2C19
SCHEMBL23642768 0.71 MAPT (0.59) MAPTSMN1; SMN2LIN28ATDP1KCNA5
SCHEMBL1121025 0.71 APP (0.33) TSHR
SCHEMBL230049 0.71 MAPT (0.64) MAPTSMN1; SMN2LIN28ATDP1KCNA5
SCHEMBL1121070 0.70 RXRA (0.38)
SCHEMBL138261 0.69 SMN1; SMN2 (0.83) MAPTSMN1; SMN2LIN28ATDP1KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9162988-B2 Therapeutic or prophylactic agent for allergic dermatitis TORAY INDUSTRIES, INC. (JP) 2015-10-20 US disclosed
US-9162988-B2 Therapeutic or prophylactic agent for allergic dermatitis TORAY INDUSTRIES, INC. (JP) 2015-10-20 US disclosed
US-9162988-B2 Therapeutic or prophylactic agent for allergic dermatitis TORAY INDUSTRIES, INC. (JP) 2015-10-20 US disclosed
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2013-06-13 US disclosed
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2013-06-13 US disclosed
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2013-06-13 US disclosed
EP-1840121-B1 GLYCINE DERIVATIVE AND USE THEREOF TORAY INDUSTRIES (JP) 2012-08-29 EP disclosed
EP-2039687-B1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS TORAY INDUSTRIES (JP) 2012-05-02 EP disclosed
CN-101472580-B Therapeutic or prophylactic agent for allergic dermatitis TORAY INDUSTRIES 2011-08-24 CN disclosed
CN-101472900-B Therapeutic or prophylactic agent for multiple sclerosis TORAY INDUSTRIES 2011-07-27 CN disclosed
US-20090093508-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2009-04-09 US disclosed
EP-2042171-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS Toray Industries, Inc. (JP) 2009-04-01 EP disclosed
EP-2039687-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS Toray Industries, Inc. (JP) 2009-03-25 EP disclosed
EP-2033637-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA Toray Industries, Inc. (JP) 2009-03-11 EP disclosed
EP-2033637-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA Toray Industries, Inc. (JP) 2009-03-11 EP disclosed
US-20080085910-A1 Glycine Derivative and Use Thereof TORAY INDUSTRIES, INC. (JP) 2008-04-10 US disclosed
US-20080085910-A1 Glycine Derivative and Use Thereof TORAY INDUSTRIES, INC. (JP) 2008-04-10 US disclosed
US-20080085910-A1 Glycine Derivative and Use Thereof TORAY INDUSTRIES, INC. (JP) 2008-04-10 US disclosed
CN-101128436-A Glycine derivative and use thereof TORAY INDUSTRIES (JP) 2008-02-20 CN disclosed
EP-1840121-A1 GLYCINE DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2007-10-03 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 (3 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-20090093508-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP MAPT 3547/4885SMN1; SMN2 3960/4885LIN28A 3681/4885
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP MAPT 3547/4885SMN1; SMN2 3960/4885LIN28A 3681/4885
US-20080085910-A1 Glycine Derivative and Use Thereof GNMT, SI, SLC7A11 MAPT 2868/4885SMN1; SMN2 2293/4885LIN28A 2262/4885

“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.